smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)C[NH2+][C@@H](C)c1ccccc1[O-] 160207058 697660607 /nfs/dbraw/zinc/66/06/07/697660607.db2.gz UQTUDQUTBJJNIK-JTQLQIEISA-N 0 3 191.274 2.619 10 30 AFEEHN C=CCN(Cc1ccoc1)C(C)C 379393369 697869003 /nfs/dbraw/zinc/86/90/03/697869003.db2.gz UNGFOOSSZQTKCT-UHFFFAOYSA-N 0 3 179.263 2.676 10 30 AFEEHN C#CCN(CC)Cc1ccc(C)s1 379398400 697873387 /nfs/dbraw/zinc/87/33/87/697873387.db2.gz FPQMUZBXEPYIEQ-UHFFFAOYSA-N 0 3 193.315 2.512 10 30 AFEEHN CC[C@H](CC#N)N[C@@H]1CC[C@@H]1C(C)C 379602181 697904071 /nfs/dbraw/zinc/90/40/71/697904071.db2.gz MLZQFZQULVVELS-IJLUTSLNSA-N 0 3 194.322 2.703 10 30 AFEEHN CC[C@H](CC#N)N[C@H]1CC[C@@H]1C(C)C 379602182 697904208 /nfs/dbraw/zinc/90/42/08/697904208.db2.gz MLZQFZQULVVELS-UTUOFQBUSA-N 0 3 194.322 2.703 10 30 AFEEHN CC[C@H](CC#N)N[C@@H]1CC[C@H]1C(C)C 379602180 697904238 /nfs/dbraw/zinc/90/42/38/697904238.db2.gz MLZQFZQULVVELS-GRYCIOLGSA-N 0 3 194.322 2.703 10 30 AFEEHN CC[C@H](CC#N)N[C@H]1CC[C@H]1C(C)C 379602183 697904368 /nfs/dbraw/zinc/90/43/68/697904368.db2.gz MLZQFZQULVVELS-WOPDTQHZSA-N 0 3 194.322 2.703 10 30 AFEEHN CC/C=C/CNCC#Cc1ccccc1 384788778 697930693 /nfs/dbraw/zinc/93/06/93/697930693.db2.gz VFTWUOPHCBMMDC-XVNBXDOJSA-N 0 3 199.297 2.594 10 30 AFEEHN CC/C=C\CNCC#Cc1ccccc1 384788770 697931114 /nfs/dbraw/zinc/93/11/14/697931114.db2.gz VFTWUOPHCBMMDC-CLTKARDFSA-N 0 3 199.297 2.594 10 30 AFEEHN C=C(Cl)CN(CC)CC1CCC1 388392160 697958421 /nfs/dbraw/zinc/95/84/21/697958421.db2.gz CVRJEBRSRTZDPX-UHFFFAOYSA-N 0 3 187.714 2.861 10 30 AFEEHN C=CCN(CCC(F)(F)F)C(C)C 388580058 697973961 /nfs/dbraw/zinc/97/39/61/697973961.db2.gz AZXAKBNDZHZFBO-UHFFFAOYSA-N 0 3 195.228 2.835 10 30 AFEEHN C#C[C@@H](CC)NCc1csc(C)c1 388593114 697975927 /nfs/dbraw/zinc/97/59/27/697975927.db2.gz MQRQSSGELROKPI-NSHDSACASA-N 0 3 193.315 2.558 10 30 AFEEHN C#C[C@H](CC)NCc1csc(C)c1 388593113 697975981 /nfs/dbraw/zinc/97/59/81/697975981.db2.gz MQRQSSGELROKPI-LLVKDONJSA-N 0 3 193.315 2.558 10 30 AFEEHN C=C(C)CNCc1cc(C)oc1C 393553636 698019202 /nfs/dbraw/zinc/01/92/02/698019202.db2.gz HLAZUTKZAHZDFW-UHFFFAOYSA-N 0 3 179.263 2.562 10 30 AFEEHN C#CCCN1Cc2ccccc2[C@@H]1C 760843724 698088286 /nfs/dbraw/zinc/08/82/86/698088286.db2.gz ODRHXHZKFWMTTP-NSHDSACASA-N 0 3 185.270 2.587 10 30 AFEEHN C#CCCN1Cc2ccccc2[C@H]1C 760843722 698088639 /nfs/dbraw/zinc/08/86/39/698088639.db2.gz ODRHXHZKFWMTTP-LLVKDONJSA-N 0 3 185.270 2.587 10 30 AFEEHN C#C[C@@H](C)N(C)C/C=C/c1ccccc1 769977229 698092158 /nfs/dbraw/zinc/09/21/58/698092158.db2.gz BHXBMOMNSRYOEJ-RUNBWSAHSA-N 0 3 199.297 2.653 10 30 AFEEHN C#C[C@@H](C)N(C)C/C=C\c1ccccc1 769977226 698092366 /nfs/dbraw/zinc/09/23/66/698092366.db2.gz BHXBMOMNSRYOEJ-BIRHUZIMSA-N 0 3 199.297 2.653 10 30 AFEEHN C#C[C@H](C)N(C)C/C=C\c1ccccc1 769977232 698092517 /nfs/dbraw/zinc/09/25/17/698092517.db2.gz BHXBMOMNSRYOEJ-ZWXCPPHNSA-N 0 3 199.297 2.653 10 30 AFEEHN C#C[C@H](C)N(C)C/C=C/c1ccccc1 769977231 698092613 /nfs/dbraw/zinc/09/26/13/698092613.db2.gz BHXBMOMNSRYOEJ-YKWSONSWSA-N 0 3 199.297 2.653 10 30 AFEEHN N#Cc1ccccc1N1CCCCC1=N 49584060 132192073 /nfs/dbraw/zinc/19/20/73/132192073.db2.gz ZXYQRDVFPBEBQA-UHFFFAOYSA-N 0 3 199.257 2.526 10 30 AFEEHN CC(C#N)C(=O)CC1CCCCC1 34975732 343126769 /nfs/dbraw/zinc/12/67/69/343126769.db2.gz ALGYCZNXOOXVOH-SECBINFHSA-N 0 3 179.263 2.686 10 30 AFEEHN CC[C@@H](CC#N)N1CCCCCCC1 36677424 343147694 /nfs/dbraw/zinc/14/76/94/343147694.db2.gz ZDRJLMGQFPPLEU-LBPRGKRZSA-N 0 3 194.322 2.945 10 30 AFEEHN CC[C@@H](CC#N)N[C@H](C)CC(C)C 37264698 343164564 /nfs/dbraw/zinc/16/45/64/343164564.db2.gz LKLBNRSDPWADDY-MNOVXSKESA-N 0 3 182.311 2.703 10 30 AFEEHN CC/N=C(\C)c1ccccc1 39212341 343206527 /nfs/dbraw/zinc/20/65/27/343206527.db2.gz SOOKNCPNBIBXQO-PKNBQFBNSA-N 0 3 147.221 2.516 10 30 AFEEHN CC[C@H](CC#N)N1CCC[C@H](C)[C@@H]1C 50564761 343284348 /nfs/dbraw/zinc/28/43/48/343284348.db2.gz XLHSDGWRTDOBPO-SDDRHHMPSA-N 0 3 194.322 2.799 10 30 AFEEHN C#CC[C@H](NC)c1cccc(Cl)c1 51074746 343288718 /nfs/dbraw/zinc/28/87/18/343288718.db2.gz DTKIOYSSJHEFCN-NSHDSACASA-N 0 3 193.677 2.624 10 30 AFEEHN CC#CC[C@@H](N)c1ccccc1Cl 51665937 343290969 /nfs/dbraw/zinc/29/09/69/343290969.db2.gz UFLGKFZNVSSKKK-LLVKDONJSA-N 0 3 193.677 2.753 10 30 AFEEHN CC[C@H](N[C@@H]1CCC[C@@H]1C#N)C(C)C 54826507 343330297 /nfs/dbraw/zinc/33/02/97/343330297.db2.gz JBTANJDKWPRDST-GRYCIOLGSA-N 0 3 194.322 2.703 10 30 AFEEHN CC[C@H](C)CN[C@H]1CCCC[C@@H]1C#N 54830162 343330393 /nfs/dbraw/zinc/33/03/93/343330393.db2.gz PLOVMKXHNRSWCU-TUAOUCFPSA-N 0 3 194.322 2.704 10 30 AFEEHN CCCC[C@H](C)N[C@@H]1CCC[C@@H]1C#N 54829011 343330418 /nfs/dbraw/zinc/33/04/18/343330418.db2.gz MQSFMJNMWMCCKP-QJPTWQEYSA-N 0 3 194.322 2.847 10 30 AFEEHN CCC(CC)N[C@@H]1CCCC[C@@H]1C#N 54822879 343329254 /nfs/dbraw/zinc/32/92/54/343329254.db2.gz ROLFXTUFJAEXTR-ZYHUDNBSSA-N 0 3 194.322 2.847 10 30 AFEEHN CC1(N[C@@H]2CCC[C@H]2C#N)CCCC1 54826287 343329906 /nfs/dbraw/zinc/32/99/06/343329906.db2.gz QTPFUVHWQRVXIU-WDEREUQCSA-N 0 3 192.306 2.601 10 30 AFEEHN CC1(N[C@H]2CCC[C@H]2C#N)CCCC1 54826288 343329908 /nfs/dbraw/zinc/32/99/08/343329908.db2.gz QTPFUVHWQRVXIU-QWRGUYRKSA-N 0 3 192.306 2.601 10 30 AFEEHN CC[C@H](C)[C@H](C)N[C@@H]1CCC[C@@H]1C#N 54826406 343329916 /nfs/dbraw/zinc/32/99/16/343329916.db2.gz JSIABNRLMOQJNJ-NNYUYHANSA-N 0 3 194.322 2.703 10 30 AFEEHN CC[C@@H](CC#N)N1CCC(C)(C)CC1 61819941 343364689 /nfs/dbraw/zinc/36/46/89/343364689.db2.gz WAWAMUCRMQOPFY-NSHDSACASA-N 0 3 194.322 2.801 10 30 AFEEHN CCC(CC)CN[C@@H]1CCC[C@H]1C#N 61891140 343366601 /nfs/dbraw/zinc/36/66/01/343366601.db2.gz DVBYIDOHPSAOGA-NWDGAFQWSA-N 0 3 194.322 2.704 10 30 AFEEHN C[C@@H](CC#N)NC1CCC(C)(C)CC1 70623379 343506503 /nfs/dbraw/zinc/50/65/03/343506503.db2.gz CHRZTUDBIIJJIC-JTQLQIEISA-N 0 3 194.322 2.847 10 30 AFEEHN C=CCC[C@@H](N)c1cccc(F)c1F 129051653 343843103 /nfs/dbraw/zinc/84/31/03/343843103.db2.gz QRPIAPMZRPOMIJ-SNVBAGLBSA-N 0 3 197.228 2.931 10 30 AFEEHN C=CCC[C@H](N)c1cccc(F)c1F 129051419 343843109 /nfs/dbraw/zinc/84/31/09/343843109.db2.gz QRPIAPMZRPOMIJ-JTQLQIEISA-N 0 3 197.228 2.931 10 30 AFEEHN C=C(C)[C@H](N)c1ccc(C)s1 131471340 343886022 /nfs/dbraw/zinc/88/60/22/343886022.db2.gz IMRHTLJQDMSOTM-VIFPVBQESA-N 0 3 167.277 2.632 10 30 AFEEHN C#CCN[C@@H](C)c1ccc(CC)s1 41062202 166023553 /nfs/dbraw/zinc/02/35/53/166023553.db2.gz JBTNYJRNUZRGJX-VIFPVBQESA-N 0 3 193.315 2.594 10 30 AFEEHN C#CCN[C@@H](C)c1ccc(C)c(C)c1 96288867 166023850 /nfs/dbraw/zinc/02/38/50/166023850.db2.gz UMFFLPVFXGCZFY-LBPRGKRZSA-N 0 3 187.286 2.587 10 30 AFEEHN C#CCN[C@@H](C)c1ccc(C)cc1C 19875570 166024599 /nfs/dbraw/zinc/02/45/99/166024599.db2.gz MRJQXNMJAJXTRN-LBPRGKRZSA-N 0 3 187.286 2.587 10 30 AFEEHN C#CCN[C@@H](CC=C)c1ccccc1 32602376 166024633 /nfs/dbraw/zinc/02/46/33/166024633.db2.gz NOGBLBQJBSFWDA-ZDUSSCGKSA-N 0 3 185.270 2.527 10 30 AFEEHN C#CCNCc1ccc(C(C)C)cc1 19875423 166024880 /nfs/dbraw/zinc/02/48/80/166024880.db2.gz FFZQLSYICGEUEU-UHFFFAOYSA-N 0 3 187.286 2.533 10 30 AFEEHN C#CCN[C@@H](C)c1cc(C)ccc1C 19875580 166025120 /nfs/dbraw/zinc/02/51/20/166025120.db2.gz LIYMNUGQIZZSBE-LBPRGKRZSA-N 0 3 187.286 2.587 10 30 AFEEHN C#CCNCc1cccc2ccccc12 19875337 166025133 /nfs/dbraw/zinc/02/51/33/166025133.db2.gz IIJSWKSOXZVCSD-UHFFFAOYSA-N 0 3 195.265 2.563 10 30 AFEEHN C#CCN[C@@H](c1ccc(C)cc1)C1CC1 35055348 166025164 /nfs/dbraw/zinc/02/51/64/166025164.db2.gz SOBCCIHIOGALIP-AWEZNQCLSA-N 0 3 199.297 2.669 10 30 AFEEHN C#CCNCc1ccc2ccccc2c1 19875329 166025303 /nfs/dbraw/zinc/02/53/03/166025303.db2.gz RICTVNGCVMJEGI-UHFFFAOYSA-N 0 3 195.265 2.563 10 30 AFEEHN C#CCN[C@@H](C)c1ccc(CC)cc1 19875677 166025391 /nfs/dbraw/zinc/02/53/91/166025391.db2.gz WOTFHMSMIZLOFG-NSHDSACASA-N 0 3 187.286 2.533 10 30 AFEEHN C#CCN[C@@H]1CCCCc2ccccc21 19875425 166025993 /nfs/dbraw/zinc/02/59/93/166025993.db2.gz WPVWHXCWOBSGMJ-CQSZACIVSA-N 0 3 199.297 2.677 10 30 AFEEHN C#CCN[C@H](c1cccs1)C(C)C 35046640 166026136 /nfs/dbraw/zinc/02/61/36/166026136.db2.gz WQYKLTAYVHNBBT-NSHDSACASA-N 0 3 193.315 2.668 10 30 AFEEHN C#CCN[C@H](C)c1ccc(C)c(C)c1 96288866 166026166 /nfs/dbraw/zinc/02/61/66/166026166.db2.gz UMFFLPVFXGCZFY-GFCCVEGCSA-N 0 3 187.286 2.587 10 30 AFEEHN C#CCN[C@H](C)c1ccc(CC)cc1 19875676 166026201 /nfs/dbraw/zinc/02/62/01/166026201.db2.gz WOTFHMSMIZLOFG-LLVKDONJSA-N 0 3 187.286 2.533 10 30 AFEEHN C#CCN[C@H](C)c1cc(C)ccc1C 19875579 166026638 /nfs/dbraw/zinc/02/66/38/166026638.db2.gz LIYMNUGQIZZSBE-GFCCVEGCSA-N 0 3 187.286 2.587 10 30 AFEEHN C#CCN[C@H](c1ccc(C)cc1)C1CC1 35055349 166026674 /nfs/dbraw/zinc/02/66/74/166026674.db2.gz SOBCCIHIOGALIP-CQSZACIVSA-N 0 3 199.297 2.669 10 30 AFEEHN C#CCN[C@H]1CCCCc2ccccc21 19875426 166027096 /nfs/dbraw/zinc/02/70/96/166027096.db2.gz WPVWHXCWOBSGMJ-AWEZNQCLSA-N 0 3 199.297 2.677 10 30 AFEEHN C#CCN[C@H](C)c1ccc(CC)s1 41062201 166027135 /nfs/dbraw/zinc/02/71/35/166027135.db2.gz JBTNYJRNUZRGJX-SECBINFHSA-N 0 3 193.315 2.594 10 30 AFEEHN C#CCNc1cc(C)nc2ccccc12 50522613 166027427 /nfs/dbraw/zinc/02/74/27/166027427.db2.gz LUQBLXWDQKXFKV-UHFFFAOYSA-N 0 3 196.253 2.588 10 30 AFEEHN C#CCN[C@H](CC=C)c1ccccc1 32602375 166027501 /nfs/dbraw/zinc/02/75/01/166027501.db2.gz NOGBLBQJBSFWDA-CYBMUJFWSA-N 0 3 185.270 2.527 10 30 AFEEHN C#CCN[C@H](C)c1ccc(C)cc1C 19875569 166027685 /nfs/dbraw/zinc/02/76/85/166027685.db2.gz MRJQXNMJAJXTRN-GFCCVEGCSA-N 0 3 187.286 2.587 10 30 AFEEHN C#CCN[C@@H](c1cccs1)C(C)C 35046641 166027783 /nfs/dbraw/zinc/02/77/83/166027783.db2.gz WQYKLTAYVHNBBT-LLVKDONJSA-N 0 3 193.315 2.668 10 30 AFEEHN C#CC[C@@H](NC)c1ccccc1Cl 51075254 166031468 /nfs/dbraw/zinc/03/14/68/166031468.db2.gz WITVPXLNTVBDIV-LLVKDONJSA-N 0 3 193.677 2.624 10 30 AFEEHN C#CC[C@H](NC)c1ccccc1Cl 51075253 166033840 /nfs/dbraw/zinc/03/38/40/166033840.db2.gz WITVPXLNTVBDIV-NSHDSACASA-N 0 3 193.677 2.624 10 30 AFEEHN CN=CNc1ccc(Cl)cc1C 2015830 166071356 /nfs/dbraw/zinc/07/13/56/166071356.db2.gz MZCHBOYMVBQHQC-UHFFFAOYSA-N 0 3 182.654 2.718 10 30 AFEEHN CN=CNc1c(C)cc(C)cc1C 29474745 166071743 /nfs/dbraw/zinc/07/17/43/166071743.db2.gz GIWPMTBXEPGHDW-UHFFFAOYSA-N 0 3 176.263 2.682 10 30 AFEEHN C=C(C)CNCc1cccc(C)c1 51753328 166122115 /nfs/dbraw/zinc/12/21/15/166122115.db2.gz GGGSQCSVYQRSQO-UHFFFAOYSA-N 0 3 175.275 2.661 10 30 AFEEHN C=C(C)CN[C@@H](C)c1ccco1 49900238 166122563 /nfs/dbraw/zinc/12/25/63/166122563.db2.gz MDRXHJGIUZMGKH-VIFPVBQESA-N 0 3 165.236 2.506 10 30 AFEEHN C=C(C)CNCc1ccccc1C 49857844 166123227 /nfs/dbraw/zinc/12/32/27/166123227.db2.gz ACNBCQZYCIUKSD-UHFFFAOYSA-N 0 3 175.275 2.661 10 30 AFEEHN C=C(C)CN[C@H](C)c1ccco1 49900239 166123262 /nfs/dbraw/zinc/12/32/62/166123262.db2.gz MDRXHJGIUZMGKH-SECBINFHSA-N 0 3 165.236 2.506 10 30 AFEEHN C=C(C)CN[C@@H](C)c1cccs1 49855325 166123462 /nfs/dbraw/zinc/12/34/62/166123462.db2.gz LVRAGJYPDWLUOW-VIFPVBQESA-N 0 3 181.304 2.975 10 30 AFEEHN C=C(C)CN[C@H](C)c1cccs1 49855327 166124068 /nfs/dbraw/zinc/12/40/68/166124068.db2.gz LVRAGJYPDWLUOW-SECBINFHSA-N 0 3 181.304 2.975 10 30 AFEEHN C=C(C)COc1ccccc1[C@@H](C)N 37697642 166125234 /nfs/dbraw/zinc/12/52/34/166125234.db2.gz QWOARARTAIEYQK-SNVBAGLBSA-N 0 3 191.274 2.661 10 30 AFEEHN C=C(C)COc1ccccc1[C@H](C)N 37697641 166125324 /nfs/dbraw/zinc/12/53/24/166125324.db2.gz QWOARARTAIEYQK-JTQLQIEISA-N 0 3 191.274 2.661 10 30 AFEEHN C=C(C)[C@@H]1NCCc2cccc(C)c21 75640451 166128370 /nfs/dbraw/zinc/12/83/70/166128370.db2.gz KPHURTRTXMXMSV-ZDUSSCGKSA-N 0 3 187.286 2.758 10 30 AFEEHN C=C(C)[C@@H]1NCCc2c(F)cccc21 83664990 166128816 /nfs/dbraw/zinc/12/88/16/166128816.db2.gz OCVBKEGUSIJFMA-LBPRGKRZSA-N 0 3 191.249 2.589 10 30 AFEEHN C=C(C)[C@@H]1NCCc2cc(C)ccc21 75640461 166128997 /nfs/dbraw/zinc/12/89/97/166128997.db2.gz IESGKDBTLTVTKH-ZDUSSCGKSA-N 0 3 187.286 2.758 10 30 AFEEHN C=C(C)[C@@H]1NCCc2c(C)cccc21 83731552 166129053 /nfs/dbraw/zinc/12/90/53/166129053.db2.gz OPWRQLXGHSAJED-ZDUSSCGKSA-N 0 3 187.286 2.758 10 30 AFEEHN C=C(C)[C@@H]1NCCc2ccc(F)cc21 83664422 166129324 /nfs/dbraw/zinc/12/93/24/166129324.db2.gz LIKCLHSKXCJMBT-LBPRGKRZSA-N 0 3 191.249 2.589 10 30 AFEEHN C=C(C)[C@@H]1NCCc2cc(F)ccc21 83729907 166129995 /nfs/dbraw/zinc/12/99/95/166129995.db2.gz PTBYBVAHDKAWKD-LBPRGKRZSA-N 0 3 191.249 2.589 10 30 AFEEHN C=C(C)[C@@H]1NCCc2ccc(C)cc21 83661862 166130531 /nfs/dbraw/zinc/13/05/31/166130531.db2.gz VKDOYIKILBXVOI-ZDUSSCGKSA-N 0 3 187.286 2.758 10 30 AFEEHN C=C(C)[C@H]1NCCc2ccc(C)cc21 83661863 166131159 /nfs/dbraw/zinc/13/11/59/166131159.db2.gz VKDOYIKILBXVOI-CYBMUJFWSA-N 0 3 187.286 2.758 10 30 AFEEHN C=C(C)[C@H]1NCCc2cccc(C)c21 75640455 166131804 /nfs/dbraw/zinc/13/18/04/166131804.db2.gz KPHURTRTXMXMSV-CYBMUJFWSA-N 0 3 187.286 2.758 10 30 AFEEHN C=C(C)[C@H]1NCCc2ccc(F)cc21 83664421 166131981 /nfs/dbraw/zinc/13/19/81/166131981.db2.gz LIKCLHSKXCJMBT-GFCCVEGCSA-N 0 3 191.249 2.589 10 30 AFEEHN C=C(C)[C@H]1NCCc2c(C)cccc21 83731551 166132826 /nfs/dbraw/zinc/13/28/26/166132826.db2.gz OPWRQLXGHSAJED-CYBMUJFWSA-N 0 3 187.286 2.758 10 30 AFEEHN C=C(C)[C@H]1NCCc2cc(F)ccc21 83729906 166132835 /nfs/dbraw/zinc/13/28/35/166132835.db2.gz PTBYBVAHDKAWKD-GFCCVEGCSA-N 0 3 191.249 2.589 10 30 AFEEHN C=C(C)[C@H]1NCCc2c(F)cccc21 83664989 166132917 /nfs/dbraw/zinc/13/29/17/166132917.db2.gz OCVBKEGUSIJFMA-GFCCVEGCSA-N 0 3 191.249 2.589 10 30 AFEEHN C=C(C)[C@H]1NCCc2cc(C)ccc21 75640458 166133200 /nfs/dbraw/zinc/13/32/00/166133200.db2.gz IESGKDBTLTVTKH-CYBMUJFWSA-N 0 3 187.286 2.758 10 30 AFEEHN C=C(Cl)CN[C@H](CC)CCC 50404253 166135614 /nfs/dbraw/zinc/13/56/14/166135614.db2.gz VSDZEAAXTTWPMP-SECBINFHSA-N 0 3 175.703 2.907 10 30 AFEEHN C=C(Cl)CN[C@H](C)CCC 37488793 166135640 /nfs/dbraw/zinc/13/56/40/166135640.db2.gz QFEXALANXOLXSL-MRVPVSSYSA-N 0 3 161.676 2.517 10 30 AFEEHN C=C(Cl)CN[C@@H](CC)CCC 50404255 166135969 /nfs/dbraw/zinc/13/59/69/166135969.db2.gz VSDZEAAXTTWPMP-VIFPVBQESA-N 0 3 175.703 2.907 10 30 AFEEHN C=C(Cl)CN[C@@H](C)CCC 37488794 166136211 /nfs/dbraw/zinc/13/62/11/166136211.db2.gz QFEXALANXOLXSL-QMMMGPOBSA-N 0 3 161.676 2.517 10 30 AFEEHN C=C(Cl)CNC(C)(C)CC 37505167 166136524 /nfs/dbraw/zinc/13/65/24/166136524.db2.gz FZQROJGKKKMIHR-UHFFFAOYSA-N 0 3 161.676 2.517 10 30 AFEEHN C=C(Cl)CNCCc1ccccc1 37488692 166136985 /nfs/dbraw/zinc/13/69/85/166136985.db2.gz QKQYFIQSWCUSGU-UHFFFAOYSA-N 0 3 195.693 2.571 10 30 AFEEHN C=C(Cl)CNCCCCC 37488664 166137082 /nfs/dbraw/zinc/13/70/82/166137082.db2.gz XWNRTBFRXGJKJR-UHFFFAOYSA-N 0 3 161.676 2.519 10 30 AFEEHN C=C(Cl)CNCC1CCCC1 37681265 166137458 /nfs/dbraw/zinc/13/74/58/166137458.db2.gz HVJSAZDEQNVCLW-UHFFFAOYSA-N 0 3 173.687 2.519 10 30 AFEEHN C=C(Cl)CNC1(C)CCCC1 42186901 166137472 /nfs/dbraw/zinc/13/74/72/166137472.db2.gz ZWWRQJHGFUUNRN-UHFFFAOYSA-N 0 3 173.687 2.661 10 30 AFEEHN C=CC(C)(C)NCc1ccccc1 34087460 166161458 /nfs/dbraw/zinc/16/14/58/166161458.db2.gz IJGPXRLQYZURDV-UHFFFAOYSA-N 0 3 175.275 2.741 10 30 AFEEHN C=CCN1CC=C(c2ccccc2)CC1 13729344 166174909 /nfs/dbraw/zinc/17/49/09/166174909.db2.gz KIIHGSRIHHBPCL-UHFFFAOYSA-N 0 3 199.297 2.962 10 30 AFEEHN C=CCNCc1cc2ccccc2o1 20084797 166186777 /nfs/dbraw/zinc/18/67/77/166186777.db2.gz SCEHBIAMHTUTDT-UHFFFAOYSA-N 0 3 187.242 2.708 10 30 AFEEHN C=CCNCc1ccc(Cl)c(F)c1 43388180 166187370 /nfs/dbraw/zinc/18/73/70/166187370.db2.gz CYQJWDXLAZLUMV-UHFFFAOYSA-N 0 3 199.656 2.755 10 30 AFEEHN C=CCNCc1ccc(F)c(Cl)c1 53157357 166187428 /nfs/dbraw/zinc/18/74/28/166187428.db2.gz SJTSKYUPQJKHAI-UHFFFAOYSA-N 0 3 199.656 2.755 10 30 AFEEHN C=CCNCc1cc(C)cc(C)c1 37978590 166187679 /nfs/dbraw/zinc/18/76/79/166187679.db2.gz DJVGBOCLWNHDME-UHFFFAOYSA-N 0 3 175.275 2.579 10 30 AFEEHN C=CCNCc1ccc(C)cc1C 19875714 166187742 /nfs/dbraw/zinc/18/77/42/166187742.db2.gz JMOAHIBPRHETBH-UHFFFAOYSA-N 0 3 175.275 2.579 10 30 AFEEHN C=CCNCc1cccc2cccnc12 20084801 166187795 /nfs/dbraw/zinc/18/77/95/166187795.db2.gz ROXCXFRVJSBBPD-UHFFFAOYSA-N 0 3 198.269 2.510 10 30 AFEEHN C=CCNCc1cc(C)sc1C 49684775 166187872 /nfs/dbraw/zinc/18/78/72/166187872.db2.gz KCUDZQNCHYAVJJ-UHFFFAOYSA-N 0 3 181.304 2.641 10 30 AFEEHN C=CCNCc1ccc2ccccc2n1 20246158 166188003 /nfs/dbraw/zinc/18/80/03/166188003.db2.gz VRNUCVXYHWEPSZ-UHFFFAOYSA-N 0 3 198.269 2.510 10 30 AFEEHN C=CCNCc1c(C)cc(C)cc1C 19875733 166188113 /nfs/dbraw/zinc/18/81/13/166188113.db2.gz ZWUNHPJTEKKHRM-UHFFFAOYSA-N 0 3 189.302 2.887 10 30 AFEEHN C=CCNCc1ccc2ncccc2c1 20248031 166188287 /nfs/dbraw/zinc/18/82/87/166188287.db2.gz OZAQXXWNONABGI-UHFFFAOYSA-N 0 3 198.269 2.510 10 30 AFEEHN C=CCNCc1cc(C)ccc1C 42209215 166188291 /nfs/dbraw/zinc/18/82/91/166188291.db2.gz JQDSXBAUABXRGG-UHFFFAOYSA-N 0 3 175.275 2.579 10 30 AFEEHN C=CCNCc1ccc(C)c(C)c1 34991100 166188393 /nfs/dbraw/zinc/18/83/93/166188393.db2.gz BCGXVFPLRJGQNP-UHFFFAOYSA-N 0 3 175.275 2.579 10 30 AFEEHN C=CCNCc1c(C)cccc1C 83340234 166188564 /nfs/dbraw/zinc/18/85/64/166188564.db2.gz FBNNMKXOUBRCIO-UHFFFAOYSA-N 0 3 175.275 2.579 10 30 AFEEHN C=CCNCc1ccc(CC)s1 20033749 166188732 /nfs/dbraw/zinc/18/87/32/166188732.db2.gz MUOZDQQPUBFOLD-UHFFFAOYSA-N 0 3 181.304 2.586 10 30 AFEEHN C=CCNCc1cc(C)c(C)cc1C 34991108 166188737 /nfs/dbraw/zinc/18/87/37/166188737.db2.gz KKRLQEHVYJJIQH-UHFFFAOYSA-N 0 3 189.302 2.887 10 30 AFEEHN C=CCNCc1cccc(C)c1C 48241742 166188745 /nfs/dbraw/zinc/18/87/45/166188745.db2.gz JSPMMSFIXDQVHB-UHFFFAOYSA-N 0 3 175.275 2.579 10 30 AFEEHN C=CCNCc1cc(F)cc(Cl)c1 83343300 166188750 /nfs/dbraw/zinc/18/87/50/166188750.db2.gz WQVAKEUBPCLCQR-UHFFFAOYSA-N 0 3 199.656 2.755 10 30 AFEEHN C=CCN[C@@H](C)c1cccc(C)c1 37185005 166189147 /nfs/dbraw/zinc/18/91/47/166189147.db2.gz OXSQRGZSAODEPO-NSHDSACASA-N 0 3 175.275 2.832 10 30 AFEEHN C=CCN[C@@H](C)c1cccs1 19875827 166189250 /nfs/dbraw/zinc/18/92/50/166189250.db2.gz WWIYFGMIEUAZHF-QMMMGPOBSA-N 0 3 167.277 2.585 10 30 AFEEHN C=CC[NH2+][C@@H](CC)c1ccccc1[O-] 19875937 166189700 /nfs/dbraw/zinc/18/97/00/166189700.db2.gz DIBYFWOBUGCHKJ-NSHDSACASA-N 0 3 191.274 2.619 10 30 AFEEHN C=CCN[C@@H](CC)c1ccc(O)cc1 19875871 166189806 /nfs/dbraw/zinc/18/98/06/166189806.db2.gz SGCXVIGXSREQFS-LBPRGKRZSA-N 0 3 191.274 2.619 10 30 AFEEHN C=CCN[C@@H](C)c1ccccc1OC 19875803 166190015 /nfs/dbraw/zinc/19/00/15/166190015.db2.gz ICXKKPMMMOEILS-JTQLQIEISA-N 0 3 191.274 2.532 10 30 AFEEHN C=CCN[C@@H](C)c1ccc(F)cc1 19875838 166190586 /nfs/dbraw/zinc/19/05/86/166190586.db2.gz CFCLKDJHWTUTRT-VIFPVBQESA-N 0 3 179.238 2.662 10 30 AFEEHN C=CC[NH2+][C@@H](C)c1ccc(C)cc1[O-] 20084848 166191037 /nfs/dbraw/zinc/19/10/37/166191037.db2.gz PLGDYKLAFVMUCC-JTQLQIEISA-N 0 3 191.274 2.537 10 30 AFEEHN C=CC[NH2+][C@@H](C)c1cc(C)ccc1[O-] 35628452 166191170 /nfs/dbraw/zinc/19/11/70/166191170.db2.gz WIWZLZNKVWWVRO-JTQLQIEISA-N 0 3 191.274 2.537 10 30 AFEEHN C=CCN[C@@H](C)c1ccccc1F 19875834 166191173 /nfs/dbraw/zinc/19/11/73/166191173.db2.gz VFTLSQCAYDOEKT-VIFPVBQESA-N 0 3 179.238 2.662 10 30 AFEEHN C=CCN[C@@H](C)c1cccc(F)c1 19875996 166191177 /nfs/dbraw/zinc/19/11/77/166191177.db2.gz VFWLIPXSJUCWPF-VIFPVBQESA-N 0 3 179.238 2.662 10 30 AFEEHN C=CCN[C@@H]1CCCc2sccc21 61324213 166191207 /nfs/dbraw/zinc/19/12/07/166191207.db2.gz CWPVVUVJLVMTBN-SNVBAGLBSA-N 0 3 193.315 2.901 10 30 AFEEHN C=CC[NH2+][C@H](C)c1ccc(C)cc1[O-] 20084846 166191689 /nfs/dbraw/zinc/19/16/89/166191689.db2.gz PLGDYKLAFVMUCC-SNVBAGLBSA-N 0 3 191.274 2.537 10 30 AFEEHN C=CCN[C@H](C)c1cccs1 19875826 166192152 /nfs/dbraw/zinc/19/21/52/166192152.db2.gz WWIYFGMIEUAZHF-MRVPVSSYSA-N 0 3 167.277 2.585 10 30 AFEEHN C=CCN[C@H](C)c1ccccc1F 19875833 166192286 /nfs/dbraw/zinc/19/22/86/166192286.db2.gz VFTLSQCAYDOEKT-SECBINFHSA-N 0 3 179.238 2.662 10 30 AFEEHN C=CCN[C@H](C)c1ccccc1OC 19875802 166192563 /nfs/dbraw/zinc/19/25/63/166192563.db2.gz ICXKKPMMMOEILS-SNVBAGLBSA-N 0 3 191.274 2.532 10 30 AFEEHN C=CCN[C@H](CC)c1ccc(O)cc1 19875870 166192618 /nfs/dbraw/zinc/19/26/18/166192618.db2.gz SGCXVIGXSREQFS-GFCCVEGCSA-N 0 3 191.274 2.619 10 30 AFEEHN C=CCN[C@H](C)c1ccc(F)cc1 19875837 166192816 /nfs/dbraw/zinc/19/28/16/166192816.db2.gz CFCLKDJHWTUTRT-SECBINFHSA-N 0 3 179.238 2.662 10 30 AFEEHN C=CCN[C@H](C)c1cccc(F)c1 19875995 166192927 /nfs/dbraw/zinc/19/29/27/166192927.db2.gz VFWLIPXSJUCWPF-SECBINFHSA-N 0 3 179.238 2.662 10 30 AFEEHN C=CC[NH2+][C@H](C)c1cc(C)ccc1[O-] 35628451 166193034 /nfs/dbraw/zinc/19/30/34/166193034.db2.gz WIWZLZNKVWWVRO-SNVBAGLBSA-N 0 3 191.274 2.537 10 30 AFEEHN C=CC[NH2+][C@H](CC)c1ccccc1[O-] 19875936 166193070 /nfs/dbraw/zinc/19/30/70/166193070.db2.gz DIBYFWOBUGCHKJ-LLVKDONJSA-N 0 3 191.274 2.619 10 30 AFEEHN C=CCN[C@H](C)c1cccc(C)c1 37185004 166193121 /nfs/dbraw/zinc/19/31/21/166193121.db2.gz OXSQRGZSAODEPO-LLVKDONJSA-N 0 3 175.275 2.832 10 30 AFEEHN C=CCN[C@H]1CCCc2sccc21 61324215 166193149 /nfs/dbraw/zinc/19/31/49/166193149.db2.gz CWPVVUVJLVMTBN-JTQLQIEISA-N 0 3 193.315 2.901 10 30 AFEEHN C=CCNc1ccnc2ccccc12 50522510 166194297 /nfs/dbraw/zinc/19/42/97/166194297.db2.gz UEVDMTQQOIQCEQ-UHFFFAOYSA-N 0 3 184.242 2.833 10 30 AFEEHN C=CCOc1ccccc1[C@@H](C)NC 37706575 166197300 /nfs/dbraw/zinc/19/73/00/166197300.db2.gz GOQFBPCNTYOZAM-SNVBAGLBSA-N 0 3 191.274 2.532 10 30 AFEEHN C=CC[C@@H](NCC)c1ncccc1C 43616773 166199381 /nfs/dbraw/zinc/19/93/81/166199381.db2.gz ZZJVAHDIUWWFMN-LLVKDONJSA-N 0 3 190.290 2.617 10 30 AFEEHN C=CC[C@@H](NCCC)c1ccccn1 42395451 166199805 /nfs/dbraw/zinc/19/98/05/166199805.db2.gz BDBPTYBWITXYNJ-LLVKDONJSA-N 0 3 190.290 2.698 10 30 AFEEHN C=CC[C@@H](NCC#CC)c1ccccc1 15779327 166199992 /nfs/dbraw/zinc/19/99/92/166199992.db2.gz VRIRAZNWEMLIQP-CQSZACIVSA-N 0 3 199.297 2.917 10 30 AFEEHN C=CC[C@@H](NC)c1ccccc1OC 42394837 166200185 /nfs/dbraw/zinc/20/01/85/166200185.db2.gz RWQQIZODPYVHOB-LLVKDONJSA-N 0 3 191.274 2.532 10 30 AFEEHN C=CC[C@@H](NC)c1ccccc1F 62774759 166200585 /nfs/dbraw/zinc/20/05/85/166200585.db2.gz VWTWPGFAUASDID-LLVKDONJSA-N 0 3 179.238 2.662 10 30 AFEEHN C=CC[C@@H](NC)c1ccc(F)cc1F 62774402 166200626 /nfs/dbraw/zinc/20/06/26/166200626.db2.gz KPXPHQUVCUUQRS-LLVKDONJSA-N 0 3 197.228 2.801 10 30 AFEEHN C=CC[C@H](NCC)c1ncccc1C 43616772 166203148 /nfs/dbraw/zinc/20/31/48/166203148.db2.gz ZZJVAHDIUWWFMN-NSHDSACASA-N 0 3 190.290 2.617 10 30 AFEEHN C=CC[C@H](NCCC)c1ccccn1 42395447 166203406 /nfs/dbraw/zinc/20/34/06/166203406.db2.gz BDBPTYBWITXYNJ-NSHDSACASA-N 0 3 190.290 2.698 10 30 AFEEHN C=CC[C@H](NCC#CC)c1ccccc1 15779325 166203513 /nfs/dbraw/zinc/20/35/13/166203513.db2.gz VRIRAZNWEMLIQP-AWEZNQCLSA-N 0 3 199.297 2.917 10 30 AFEEHN C=CC[C@H](NC)c1ccc(F)cc1F 62774401 166203913 /nfs/dbraw/zinc/20/39/13/166203913.db2.gz KPXPHQUVCUUQRS-NSHDSACASA-N 0 3 197.228 2.801 10 30 AFEEHN C=CC[C@H](NC)c1ccccc1F 62774758 166203985 /nfs/dbraw/zinc/20/39/85/166203985.db2.gz VWTWPGFAUASDID-NSHDSACASA-N 0 3 179.238 2.662 10 30 AFEEHN C=CC[C@H](NC)c1ccccc1OC 42394833 166204054 /nfs/dbraw/zinc/20/40/54/166204054.db2.gz RWQQIZODPYVHOB-NSHDSACASA-N 0 3 191.274 2.532 10 30 AFEEHN C=C[C@@H](C)Oc1ccccc1[C@H](C)N 52140790 166212686 /nfs/dbraw/zinc/21/26/86/166212686.db2.gz XZXFNEHWRYEKTQ-ZJUUUORDSA-N 0 3 191.274 2.660 10 30 AFEEHN C=C[C@@H](C)Oc1ccccc1[C@@H](C)N 52140784 166213213 /nfs/dbraw/zinc/21/32/13/166213213.db2.gz XZXFNEHWRYEKTQ-NXEZZACHSA-N 0 3 191.274 2.660 10 30 AFEEHN C=C[C@@H]1NCCc2c1ccc(C)c2C 75704370 166215466 /nfs/dbraw/zinc/21/54/66/166215466.db2.gz QWCBFNVHCBTEHJ-ZDUSSCGKSA-N 0 3 187.286 2.676 10 30 AFEEHN C=C[C@@H]1NCCc2c1ccc(C)c2F 75750243 166215518 /nfs/dbraw/zinc/21/55/18/166215518.db2.gz ZQBWCXHYXPCVFY-NSHDSACASA-N 0 3 191.249 2.507 10 30 AFEEHN C=C[C@@H]1NCCc2cc(Cl)ccc21 83661281 166215597 /nfs/dbraw/zinc/21/55/97/166215597.db2.gz ZRWMSXREPDNKEU-NSHDSACASA-N 0 3 193.677 2.713 10 30 AFEEHN C=C[C@@H]1NCCc2cc(C)c(C)cc21 75648112 166215857 /nfs/dbraw/zinc/21/58/57/166215857.db2.gz HDGVXZCTXAZGHQ-ZDUSSCGKSA-N 0 3 187.286 2.676 10 30 AFEEHN C=C[C@@H]1NCCc2c(Cl)cccc21 83667494 166215987 /nfs/dbraw/zinc/21/59/87/166215987.db2.gz DQNHVXRVAZDURK-NSHDSACASA-N 0 3 193.677 2.713 10 30 AFEEHN C=C[C@@H]1NCCc2cc(C)c(F)cc21 75735866 166216276 /nfs/dbraw/zinc/21/62/76/166216276.db2.gz NCRPIIWKPZJVSY-LBPRGKRZSA-N 0 3 191.249 2.507 10 30 AFEEHN C=C[C@@H]1NCCc2cc(C)cc(C)c21 75660184 166216301 /nfs/dbraw/zinc/21/63/01/166216301.db2.gz YKUMGZXYVNWNBE-LBPRGKRZSA-N 0 3 187.286 2.676 10 30 AFEEHN C=C[C@@H]1NCCc2ccc(F)c(C)c21 75735864 166216327 /nfs/dbraw/zinc/21/63/27/166216327.db2.gz AKANFEWRFIDTLJ-NSHDSACASA-N 0 3 191.249 2.507 10 30 AFEEHN C=C[C@@H]1NCCc2c(C)ccc(C)c21 75650566 166216407 /nfs/dbraw/zinc/21/64/07/166216407.db2.gz XTHHFPDSLNPATK-LBPRGKRZSA-N 0 3 187.286 2.676 10 30 AFEEHN C=C[C@@H]1NCCc2ccc(CC)cc21 83665443 166216432 /nfs/dbraw/zinc/21/64/32/166216432.db2.gz HZRIDVONMKYFKL-ZDUSSCGKSA-N 0 3 187.286 2.622 10 30 AFEEHN C=C[C@@H]1NCCc2ccc(C)c(C)c21 75648107 166216475 /nfs/dbraw/zinc/21/64/75/166216475.db2.gz SKOYLUQTECUASZ-LBPRGKRZSA-N 0 3 187.286 2.676 10 30 AFEEHN C=C[C@@H]1NCCc2ccc(Cl)cc21 83667160 166216482 /nfs/dbraw/zinc/21/64/82/166216482.db2.gz WKNHKHQIESYUJS-NSHDSACASA-N 0 3 193.677 2.713 10 30 AFEEHN C=C[C@@H]1NCCc2cc(F)c(C)cc21 75711081 166216501 /nfs/dbraw/zinc/21/65/01/166216501.db2.gz PMCHAGSKXAZGOC-LBPRGKRZSA-N 0 3 191.249 2.507 10 30 AFEEHN C=C[C@@H]1NCCc2c(C)cc(F)cc21 75738008 166216522 /nfs/dbraw/zinc/21/65/22/166216522.db2.gz GDATUDJDOAKXOM-LBPRGKRZSA-N 0 3 191.249 2.507 10 30 AFEEHN C=C[C@H](C)Oc1ccccc1[C@H](C)N 52140787 166217783 /nfs/dbraw/zinc/21/77/83/166217783.db2.gz XZXFNEHWRYEKTQ-UWVGGRQHSA-N 0 3 191.274 2.660 10 30 AFEEHN C=C[C@H](C)Oc1ccccc1[C@@H](C)N 52140781 166217973 /nfs/dbraw/zinc/21/79/73/166217973.db2.gz XZXFNEHWRYEKTQ-VHSXEESVSA-N 0 3 191.274 2.660 10 30 AFEEHN C=C[C@H]1NCCc2ccc(CC)cc21 83665444 166220348 /nfs/dbraw/zinc/22/03/48/166220348.db2.gz HZRIDVONMKYFKL-CYBMUJFWSA-N 0 3 187.286 2.622 10 30 AFEEHN C=C[C@H]1NCCc2c(Cl)cccc21 83667493 166220468 /nfs/dbraw/zinc/22/04/68/166220468.db2.gz DQNHVXRVAZDURK-LLVKDONJSA-N 0 3 193.677 2.713 10 30 AFEEHN C=C[C@H]1NCCc2ccc(C)c(C)c21 75648110 166220507 /nfs/dbraw/zinc/22/05/07/166220507.db2.gz SKOYLUQTECUASZ-GFCCVEGCSA-N 0 3 187.286 2.676 10 30 AFEEHN C=C[C@H]1NCCc2cc(F)c(C)cc21 75711078 166220671 /nfs/dbraw/zinc/22/06/71/166220671.db2.gz PMCHAGSKXAZGOC-GFCCVEGCSA-N 0 3 191.249 2.507 10 30 AFEEHN C=C[C@H]1NCCc2c(C)cc(F)cc21 75738006 166220740 /nfs/dbraw/zinc/22/07/40/166220740.db2.gz GDATUDJDOAKXOM-GFCCVEGCSA-N 0 3 191.249 2.507 10 30 AFEEHN C=C[C@H]1NCCc2ccc(F)c(C)c21 75735865 166220814 /nfs/dbraw/zinc/22/08/14/166220814.db2.gz AKANFEWRFIDTLJ-LLVKDONJSA-N 0 3 191.249 2.507 10 30 AFEEHN C=C[C@H]1NCCc2c1ccc(C)c2F 75750241 166220990 /nfs/dbraw/zinc/22/09/90/166220990.db2.gz ZQBWCXHYXPCVFY-LLVKDONJSA-N 0 3 191.249 2.507 10 30 AFEEHN C=C[C@H]1NCCc2cc(Cl)ccc21 83661280 166221011 /nfs/dbraw/zinc/22/10/11/166221011.db2.gz ZRWMSXREPDNKEU-LLVKDONJSA-N 0 3 193.677 2.713 10 30 AFEEHN C=C[C@H]1NCCc2c(C)ccc(C)c21 75650563 166221101 /nfs/dbraw/zinc/22/11/01/166221101.db2.gz XTHHFPDSLNPATK-GFCCVEGCSA-N 0 3 187.286 2.676 10 30 AFEEHN C=C[C@H]1NCCc2cc(C)cc(C)c21 75660181 166221109 /nfs/dbraw/zinc/22/11/09/166221109.db2.gz YKUMGZXYVNWNBE-GFCCVEGCSA-N 0 3 187.286 2.676 10 30 AFEEHN C=C[C@H]1NCCc2cc(C)c(C)cc21 75648114 166221137 /nfs/dbraw/zinc/22/11/37/166221137.db2.gz HDGVXZCTXAZGHQ-CYBMUJFWSA-N 0 3 187.286 2.676 10 30 AFEEHN C=C[C@H]1NCCc2c1ccc(C)c2C 75704368 166221140 /nfs/dbraw/zinc/22/11/40/166221140.db2.gz QWCBFNVHCBTEHJ-CYBMUJFWSA-N 0 3 187.286 2.676 10 30 AFEEHN C=C[C@H]1NCCc2ccc(Cl)cc21 83667159 166221204 /nfs/dbraw/zinc/22/12/04/166221204.db2.gz WKNHKHQIESYUJS-LLVKDONJSA-N 0 3 193.677 2.713 10 30 AFEEHN C=C[C@H]1NCCc2cc(C)c(F)cc21 75735867 166221208 /nfs/dbraw/zinc/22/12/08/166221208.db2.gz NCRPIIWKPZJVSY-GFCCVEGCSA-N 0 3 191.249 2.507 10 30 AFEEHN CC#CC[C@H](NCC)c1ccsc1 51665280 166229022 /nfs/dbraw/zinc/22/90/22/166229022.db2.gz UOFBPAWZKDMLPW-NSHDSACASA-N 0 3 193.315 2.812 10 30 AFEEHN CC(C)(C)CCN[C@@H]1CCC[C@@H]1C#N 61892759 166350958 /nfs/dbraw/zinc/35/09/58/166350958.db2.gz NLJRUEMSVDUHTA-GHMZBOCLSA-N 0 3 194.322 2.704 10 30 AFEEHN CC(C)(C)CCN[C@H]1CCC[C@H]1C#N 61892762 166351706 /nfs/dbraw/zinc/35/17/06/166351706.db2.gz NLJRUEMSVDUHTA-QWRGUYRKSA-N 0 3 194.322 2.704 10 30 AFEEHN CC(C)(C)CCN[C@H]1CCC[C@@H]1C#N 61892760 166352021 /nfs/dbraw/zinc/35/20/21/166352021.db2.gz NLJRUEMSVDUHTA-MNOVXSKESA-N 0 3 194.322 2.704 10 30 AFEEHN CC(C)(C)CCN[C@@H]1CCC[C@H]1C#N 61892761 166352380 /nfs/dbraw/zinc/35/23/80/166352380.db2.gz NLJRUEMSVDUHTA-WDEREUQCSA-N 0 3 194.322 2.704 10 30 AFEEHN CC(C)(C)CN[C@@H]1CCCC[C@@H]1C#N 54826101 166352858 /nfs/dbraw/zinc/35/28/58/166352858.db2.gz NRMHUDSHIFQGTE-GHMZBOCLSA-N 0 3 194.322 2.704 10 30 AFEEHN CC(C)(C)CN[C@H]1CCCC[C@@H]1C#N 54826102 166353807 /nfs/dbraw/zinc/35/38/07/166353807.db2.gz NRMHUDSHIFQGTE-MNOVXSKESA-N 0 3 194.322 2.704 10 30 AFEEHN CC(C)(C)CN[C@@H]1CCCC[C@H]1C#N 54826103 166354240 /nfs/dbraw/zinc/35/42/40/166354240.db2.gz NRMHUDSHIFQGTE-WDEREUQCSA-N 0 3 194.322 2.704 10 30 AFEEHN CC(C)(C)CN[C@H]1CCCC[C@H]1C#N 54826104 166355206 /nfs/dbraw/zinc/35/52/06/166355206.db2.gz NRMHUDSHIFQGTE-QWRGUYRKSA-N 0 3 194.322 2.704 10 30 AFEEHN CC(C)(C)N[C@H]1CCCCC[C@H]1C#N 54824460 166364983 /nfs/dbraw/zinc/36/49/83/166364983.db2.gz KPLUHTNOKVXWKN-QWRGUYRKSA-N 0 3 194.322 2.847 10 30 AFEEHN CC(C)(C)[NH2+][C@@H]1CCCC[C@H]1[S-] 75578084 166365267 /nfs/dbraw/zinc/36/52/67/166365267.db2.gz DHAOTDBTVHXYQX-RKDXNWHRSA-N 0 3 187.352 2.616 10 30 AFEEHN CC(C)(C)[NH2+][C@H]1CCCC[C@H]1[S-] 75578086 166365274 /nfs/dbraw/zinc/36/52/74/166365274.db2.gz DHAOTDBTVHXYQX-DTWKUNHWSA-N 0 3 187.352 2.616 10 30 AFEEHN CC(C)(C)N[C@@H]1CCCCC[C@H]1C#N 54824459 166365470 /nfs/dbraw/zinc/36/54/70/166365470.db2.gz KPLUHTNOKVXWKN-WDEREUQCSA-N 0 3 194.322 2.847 10 30 AFEEHN CC(C)(C)[NH2+][C@H]1CCCC[C@@H]1[S-] 75578083 166365617 /nfs/dbraw/zinc/36/56/17/166365617.db2.gz DHAOTDBTVHXYQX-IUCAKERBSA-N 0 3 187.352 2.616 10 30 AFEEHN CC(C)(C)[NH2+][C@@H]1CCCC[C@@H]1[S-] 75578082 166366421 /nfs/dbraw/zinc/36/64/21/166366421.db2.gz DHAOTDBTVHXYQX-BDAKNGLRSA-N 0 3 187.352 2.616 10 30 AFEEHN CC(C)(C)N[C@@H]1CCCCC[C@@H]1C#N 54824457 166366692 /nfs/dbraw/zinc/36/66/92/166366692.db2.gz KPLUHTNOKVXWKN-GHMZBOCLSA-N 0 3 194.322 2.847 10 30 AFEEHN CC(C)(C)N[C@H]1CCCCC[C@@H]1C#N 54824458 166366952 /nfs/dbraw/zinc/36/69/52/166366952.db2.gz KPLUHTNOKVXWKN-MNOVXSKESA-N 0 3 194.322 2.847 10 30 AFEEHN CCC(C)(C)N[C@H]1CCCC[C@H]1C#N 54822822 166783853 /nfs/dbraw/zinc/78/38/53/166783853.db2.gz WDXDQEABURQTHI-QWRGUYRKSA-N 0 3 194.322 2.847 10 30 AFEEHN CCCCC[C@@H](C)N[C@H](C)CC#N 42570291 166872003 /nfs/dbraw/zinc/87/20/03/166872003.db2.gz UMAZDLDOKNCUTH-GHMZBOCLSA-N 0 3 182.311 2.847 10 30 AFEEHN CCCN(C)[C@H]1CCCCC[C@@H]1C#N 37147159 166944714 /nfs/dbraw/zinc/94/47/14/166944714.db2.gz CBTMKCITAVKNOV-NEPJUHHUSA-N 0 3 194.322 2.801 10 30 AFEEHN CCC[C@@H](C)CN(C)C[C@@H](C)C#N 51320453 167028406 /nfs/dbraw/zinc/02/84/06/167028406.db2.gz ADDSZRNMHZPBTQ-MNOVXSKESA-N 0 3 182.311 2.514 10 30 AFEEHN CCC[C@@H](C)CN(CC)C[C@@H](C)C#N 51320447 167030609 /nfs/dbraw/zinc/03/06/09/167030609.db2.gz FAPYLGLEXGRETP-NEPJUHHUSA-N 0 3 196.338 2.904 10 30 AFEEHN CCC[C@@H](C)CN(CC)CCC#N 51320450 167030875 /nfs/dbraw/zinc/03/08/75/167030875.db2.gz RCLRRCFUMWDGTR-LLVKDONJSA-N 0 3 182.311 2.658 10 30 AFEEHN CCC[C@@H](CC)N[C@H](CC)CC#N 50404117 167041489 /nfs/dbraw/zinc/04/14/89/167041489.db2.gz HCJWAGLYTGHUNO-GHMZBOCLSA-N 0 3 182.311 2.847 10 30 AFEEHN CCC[C@@H](CC)N[C@@H](CC)CC#N 50404113 167042842 /nfs/dbraw/zinc/04/28/42/167042842.db2.gz HCJWAGLYTGHUNO-MNOVXSKESA-N 0 3 182.311 2.847 10 30 AFEEHN CCC[C@@H]1CCC[C@H]2CC[C@H](C#N)N21 255966595 167053853 /nfs/dbraw/zinc/05/38/53/167053853.db2.gz CFFLJMIWAWBLSD-GRYCIOLGSA-N 0 3 192.306 2.696 10 30 AFEEHN CCC[C@H](C)CN(CC)C[C@@H](C)C#N 51320449 167063413 /nfs/dbraw/zinc/06/34/13/167063413.db2.gz FAPYLGLEXGRETP-RYUDHWBXSA-N 0 3 196.338 2.904 10 30 AFEEHN CCC[C@H](C)CN(C)C[C@@H](C)C#N 51320455 167065381 /nfs/dbraw/zinc/06/53/81/167065381.db2.gz ADDSZRNMHZPBTQ-QWRGUYRKSA-N 0 3 182.311 2.514 10 30 AFEEHN CCC[C@H](C)CN(CC)CCC#N 51320452 167065419 /nfs/dbraw/zinc/06/54/19/167065419.db2.gz RCLRRCFUMWDGTR-NSHDSACASA-N 0 3 182.311 2.658 10 30 AFEEHN CCC[C@H](CC)N[C@H](CC)CC#N 50404119 167075140 /nfs/dbraw/zinc/07/51/40/167075140.db2.gz HCJWAGLYTGHUNO-WDEREUQCSA-N 0 3 182.311 2.847 10 30 AFEEHN CCC[C@H](CC)N[C@@H](CC)CC#N 50404115 167076165 /nfs/dbraw/zinc/07/61/65/167076165.db2.gz HCJWAGLYTGHUNO-QWRGUYRKSA-N 0 3 182.311 2.847 10 30 AFEEHN CCN(C(C)C)[C@H]1CCCC[C@@H]1C#N 37147035 167131229 /nfs/dbraw/zinc/13/12/29/167131229.db2.gz VZAAYZUFRZORSW-NEPJUHHUSA-N 0 3 194.322 2.799 10 30 AFEEHN CCN(C(C)C)[C@@H]1CCCC[C@@H]1C#N 37147034 167132228 /nfs/dbraw/zinc/13/22/28/167132228.db2.gz VZAAYZUFRZORSW-VXGBXAGGSA-N 0 3 194.322 2.799 10 30 AFEEHN CCN(C1CC1)[C@H]1CCCC[C@@H]1C#N 37146983 167154083 /nfs/dbraw/zinc/15/40/83/167154083.db2.gz BDORVXOAJFAYQD-PWSUYJOCSA-N 0 3 192.306 2.553 10 30 AFEEHN CCN(C1CC1)[C@@H]1CCCC[C@@H]1C#N 37146982 167155493 /nfs/dbraw/zinc/15/54/93/167155493.db2.gz BDORVXOAJFAYQD-ZYHUDNBSSA-N 0 3 192.306 2.553 10 30 AFEEHN CCN(CC)[C@H]1CCCCC[C@H]1C#N 37145672 167172594 /nfs/dbraw/zinc/17/25/94/167172594.db2.gz CDCZVBNZJTYVJD-RYUDHWBXSA-N 0 3 194.322 2.801 10 30 AFEEHN CCN(CC)[C@@H]1C[C@@H](C)CC[C@@H]1C#N 37145667 167172643 /nfs/dbraw/zinc/17/26/43/167172643.db2.gz WVPVOKVMXPYWCA-QJPTWQEYSA-N 0 3 194.322 2.657 10 30 AFEEHN CCN(CC)[C@@H]1CCCCC[C@H]1C#N 37145671 167172890 /nfs/dbraw/zinc/17/28/90/167172890.db2.gz CDCZVBNZJTYVJD-NWDGAFQWSA-N 0 3 194.322 2.801 10 30 AFEEHN CCN(CC)[C@@H]1C[C@H](C)CC[C@@H]1C#N 37145665 167174208 /nfs/dbraw/zinc/17/42/08/167174208.db2.gz WVPVOKVMXPYWCA-IJLUTSLNSA-N 0 3 194.322 2.657 10 30 AFEEHN CCN(CC)[C@H]1CCCCC[C@@H]1C#N 37145670 167174259 /nfs/dbraw/zinc/17/42/59/167174259.db2.gz CDCZVBNZJTYVJD-NEPJUHHUSA-N 0 3 194.322 2.801 10 30 AFEEHN CC[C@@H]1CCCC[C@H]1NC[C@@H](C)C#N 42578744 167550935 /nfs/dbraw/zinc/55/09/35/167550935.db2.gz BSZOPEWQGJHPPP-QJPTWQEYSA-N 0 3 194.322 2.704 10 30 AFEEHN CC(C#N)C(=O)CC1CCCCC1 34975731 168317940 /nfs/dbraw/zinc/31/79/40/168317940.db2.gz ALGYCZNXOOXVOH-VIFPVBQESA-N 0 3 179.263 2.686 10 30 AFEEHN C[C@@H](C#N)CN(C)C1CCCCCC1 35175801 168319240 /nfs/dbraw/zinc/31/92/40/168319240.db2.gz PJSBXUKICXVWIE-NSHDSACASA-N 0 3 194.322 2.801 10 30 AFEEHN C[C@@H](C#N)CN(C)[C@@H]1CCC[C@@H](C)C1 42492968 168320119 /nfs/dbraw/zinc/32/01/19/168320119.db2.gz OTHHTXHIYKQQEU-GRYCIOLGSA-N 0 3 194.322 2.657 10 30 AFEEHN CC(C#N)C(=O)c1ccccc1Cl 36935056 168320452 /nfs/dbraw/zinc/32/04/52/168320452.db2.gz SXVLNHXCDBCTDA-ZETCQYMHSA-N 0 3 193.633 2.682 10 30 AFEEHN C[C@@H](CC#N)N(C)C1CCCCC1 48246541 168331712 /nfs/dbraw/zinc/33/17/12/168331712.db2.gz KUWGJQOIQOGZEQ-JTQLQIEISA-N 0 3 180.295 2.553 10 30 AFEEHN C[C@@H](CC#N)N(C)C1CCCCCC1 48246910 168332250 /nfs/dbraw/zinc/33/22/50/168332250.db2.gz YBMQPZFYIRBDQM-NSHDSACASA-N 0 3 194.322 2.943 10 30 AFEEHN C[C@@H](CC#N)N(C)[C@@H](C)C(C)(C)C 42764039 168332348 /nfs/dbraw/zinc/33/23/48/168332348.db2.gz APCJYWFQIMYCHJ-UWVGGRQHSA-N 0 3 182.311 2.655 10 30 AFEEHN C[C@@H](CC#N)N(C)[C@@H]1CCC[C@@H](C)C1 42492990 168332701 /nfs/dbraw/zinc/33/27/01/168332701.db2.gz SJLRRVNWDPOUJD-GRYCIOLGSA-N 0 3 194.322 2.799 10 30 AFEEHN C[C@@H](CC#N)N[C@@H](C)C1CCCCC1 52337613 168333888 /nfs/dbraw/zinc/33/38/88/168333888.db2.gz RCJMTQVZQDUBLE-QWRGUYRKSA-N 0 3 194.322 2.847 10 30 AFEEHN C[C@@H](CC#N)NC1CCCCCCC1 37871185 168334038 /nfs/dbraw/zinc/33/40/38/168334038.db2.gz SSJKBOVOONQWSI-NSHDSACASA-N 0 3 194.322 2.991 10 30 AFEEHN C[C@@H](CC#N)NC[C@H]1CCCC[C@@H]1C 42861913 168334225 /nfs/dbraw/zinc/33/42/25/168334225.db2.gz WYFYURSYJGGVQJ-SDDRHHMPSA-N 0 3 194.322 2.704 10 30 AFEEHN C[C@@H](CC#N)NC[C@@H]1CCCC[C@@H]1C 42861918 168334230 /nfs/dbraw/zinc/33/42/30/168334230.db2.gz WYFYURSYJGGVQJ-SRVKXCTJSA-N 0 3 194.322 2.704 10 30 AFEEHN C[C@@H](CC#N)N1CCCCCCC1 48246629 168334401 /nfs/dbraw/zinc/33/44/01/168334401.db2.gz GUDAKBPTRXJPOI-NSHDSACASA-N 0 3 180.295 2.555 10 30 AFEEHN C[C@@H](CC#N)N[C@H](C)C1CCCCC1 52337619 168334541 /nfs/dbraw/zinc/33/45/41/168334541.db2.gz RCJMTQVZQDUBLE-WDEREUQCSA-N 0 3 194.322 2.847 10 30 AFEEHN C[C@H](CC#N)N[C@H](C)C1CCCCC1 52337621 168520999 /nfs/dbraw/zinc/52/09/99/168520999.db2.gz RCJMTQVZQDUBLE-GHMZBOCLSA-N 0 3 194.322 2.847 10 30 AFEEHN N#C[C@@H]1CCCC[C@H]1N1CCCCC1 37146337 169107502 /nfs/dbraw/zinc/10/75/02/169107502.db2.gz UYISLLSTWQDCJP-NWDGAFQWSA-N 0 3 192.306 2.555 10 30 AFEEHN N#C[C@@H]1CCCCC[C@@H]1N1CCCC1 37145600 169107695 /nfs/dbraw/zinc/10/76/95/169107695.db2.gz BEVIYYZQDVPEKG-RYUDHWBXSA-N 0 3 192.306 2.555 10 30 AFEEHN N#C[C@@H]1CCCC[C@@H]1N1CCCCC1 37146338 169107833 /nfs/dbraw/zinc/10/78/33/169107833.db2.gz UYISLLSTWQDCJP-RYUDHWBXSA-N 0 3 192.306 2.555 10 30 AFEEHN N#C[C@@H]1CCCC[C@H]1NC1CCCC1 54822869 169107848 /nfs/dbraw/zinc/10/78/48/169107848.db2.gz HVQSKWKUETXFDP-CMPLNLGQSA-N 0 3 192.306 2.601 10 30 AFEEHN N#C[C@@H]1CCC[C@H]1N1CCCCCC1 37145827 169108082 /nfs/dbraw/zinc/10/80/82/169108082.db2.gz KFGQZBYQVMUGMZ-NWDGAFQWSA-N 0 3 192.306 2.555 10 30 AFEEHN N#C[C@@H]1CCCC[C@@H]1NC1CCCC1 54822870 169108337 /nfs/dbraw/zinc/10/83/37/169108337.db2.gz HVQSKWKUETXFDP-JQWIXIFHSA-N 0 3 192.306 2.601 10 30 AFEEHN N#C[C@@H]1CCCCC[C@@H]1NC1CCC1 54829624 169108425 /nfs/dbraw/zinc/10/84/25/169108425.db2.gz 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CJSORANBFFFPRG-UHFFFAOYSA-N 0 3 198.216 2.754 10 30 AFEEHN CC[C@H](CC#N)N1CCCC1(C)C 63067174 343399928 /nfs/dbraw/zinc/39/99/28/343399928.db2.gz WBLKTFFVTVRZOB-SNVBAGLBSA-N 0 3 180.295 2.553 10 30 AFEEHN CC[C@@H](CC#N)N1CCCC1(C)C 63067173 343399952 /nfs/dbraw/zinc/39/99/52/343399952.db2.gz WBLKTFFVTVRZOB-JTQLQIEISA-N 0 3 180.295 2.553 10 30 AFEEHN CCC[C@@H](C)CN(C)[C@@H](C)CC#N 63095324 343401824 /nfs/dbraw/zinc/40/18/24/343401824.db2.gz CHWCFHAFDWXBRC-MNOVXSKESA-N 0 3 182.311 2.657 10 30 AFEEHN CCC[C@H](C)CN(C)[C@@H](C)CC#N 63095326 343402065 /nfs/dbraw/zinc/40/20/65/343402065.db2.gz CHWCFHAFDWXBRC-QWRGUYRKSA-N 0 3 182.311 2.657 10 30 AFEEHN CC1CCC(CNC[C@H](C)C#N)CC1 63145580 343402838 /nfs/dbraw/zinc/40/28/38/343402838.db2.gz LAJCQNWUWSAJOT-MOENNCHZSA-N 0 3 194.322 2.562 10 30 AFEEHN CC1CCC(CNC[C@@H](C)C#N)CC1 63145578 343402849 /nfs/dbraw/zinc/40/28/49/343402849.db2.gz LAJCQNWUWSAJOT-CXQJBGSLSA-N 0 3 194.322 2.562 10 30 AFEEHN CCC(C)(C)N(C)[C@@H]1CCC[C@@H]1C#N 68997989 343419997 /nfs/dbraw/zinc/41/99/97/343419997.db2.gz ADUHVXKSTXKBBM-GHMZBOCLSA-N 0 3 194.322 2.799 10 30 AFEEHN CCC(C)(C)N(C)[C@H]1CCC[C@@H]1C#N 68997992 343420139 /nfs/dbraw/zinc/42/01/39/343420139.db2.gz ADUHVXKSTXKBBM-MNOVXSKESA-N 0 3 194.322 2.799 10 30 AFEEHN C#CC(C)(C)N[C@H](C)c1ccccc1 69678605 343432199 /nfs/dbraw/zinc/43/21/99/343432199.db2.gz OIJIBWTUBZYPHA-LLVKDONJSA-N 0 3 187.286 2.749 10 30 AFEEHN C#CC(C)(C)N[C@@H]1CCc2ccccc21 69679044 343432296 /nfs/dbraw/zinc/43/22/96/343432296.db2.gz BMRRJBHKNZZMCS-CYBMUJFWSA-N 0 3 199.297 2.675 10 30 AFEEHN C#CC(C)(C)N[C@@H](C)c1ccccc1 69678603 343432365 /nfs/dbraw/zinc/43/23/65/343432365.db2.gz OIJIBWTUBZYPHA-NSHDSACASA-N 0 3 187.286 2.749 10 30 AFEEHN C#CC(C)(C)N[C@H]1CCc2ccccc21 69679047 343432452 /nfs/dbraw/zinc/43/24/52/343432452.db2.gz BMRRJBHKNZZMCS-ZDUSSCGKSA-N 0 3 199.297 2.675 10 30 AFEEHN C#CC(C)(C)NCc1sccc1C 69679412 343432723 /nfs/dbraw/zinc/43/27/23/343432723.db2.gz OMAKXEBUCBEYBN-UHFFFAOYSA-N 0 3 193.315 2.558 10 30 AFEEHN CC[C@H](CC#N)N1CCCC(C)(C)C1 69793305 343441501 /nfs/dbraw/zinc/44/15/01/343441501.db2.gz MLJZLSPSFFCZPX-LLVKDONJSA-N 0 3 194.322 2.801 10 30 AFEEHN CC[C@@H](CC#N)N1CCCC(C)(C)C1 69793304 343441546 /nfs/dbraw/zinc/44/15/46/343441546.db2.gz MLJZLSPSFFCZPX-NSHDSACASA-N 0 3 194.322 2.801 10 30 AFEEHN CC(C#N)C(=O)c1coc2ccccc12 69910520 343455713 /nfs/dbraw/zinc/45/57/13/343455713.db2.gz FEXRGUUPJJJSBS-QMMMGPOBSA-N 0 3 199.209 2.775 10 30 AFEEHN CC(C#N)C(=O)c1coc2ccccc12 69910521 343455736 /nfs/dbraw/zinc/45/57/36/343455736.db2.gz FEXRGUUPJJJSBS-MRVPVSSYSA-N 0 3 199.209 2.775 10 30 AFEEHN C[C@@H]1CCC[C@H](CCNCCC#N)C1 70532411 343488993 /nfs/dbraw/zinc/48/89/93/343488993.db2.gz SJXUDJJLIINTIU-VXGBXAGGSA-N 0 3 194.322 2.706 10 30 AFEEHN C[C@H]1CCC[C@@H](CCNCCC#N)C1 70532414 343489040 /nfs/dbraw/zinc/48/90/40/343489040.db2.gz SJXUDJJLIINTIU-RYUDHWBXSA-N 0 3 194.322 2.706 10 30 AFEEHN C[C@H]1CCC[C@H](CCNCCC#N)C1 70532412 343489048 /nfs/dbraw/zinc/48/90/48/343489048.db2.gz SJXUDJJLIINTIU-NWDGAFQWSA-N 0 3 194.322 2.706 10 30 AFEEHN C[C@@H]1CCC[C@@H](CCNCCC#N)C1 70532413 343489170 /nfs/dbraw/zinc/48/91/70/343489170.db2.gz SJXUDJJLIINTIU-NEPJUHHUSA-N 0 3 194.322 2.706 10 30 AFEEHN CC[C@H]1CCCN([C@@H](C)CC#N)CC1 70609747 343502014 /nfs/dbraw/zinc/50/20/14/343502014.db2.gz BUFZDQUAVBLXPD-RYUDHWBXSA-N 0 3 194.322 2.801 10 30 AFEEHN CC[C@@H]1CCCN([C@@H](C)CC#N)CC1 70609746 343502077 /nfs/dbraw/zinc/50/20/77/343502077.db2.gz BUFZDQUAVBLXPD-NWDGAFQWSA-N 0 3 194.322 2.801 10 30 AFEEHN CC[C@@H]1CCCN(C[C@@H](C)C#N)CC1 70613467 343502982 /nfs/dbraw/zinc/50/29/82/343502982.db2.gz VYSRXZCCBKOZSL-NWDGAFQWSA-N 0 3 194.322 2.658 10 30 AFEEHN CC[C@H]1CCCN(C[C@@H](C)C#N)CC1 70613468 343503306 /nfs/dbraw/zinc/50/33/06/343503306.db2.gz VYSRXZCCBKOZSL-RYUDHWBXSA-N 0 3 194.322 2.658 10 30 AFEEHN C[C@H](CC#N)NC1CCC(C)(C)CC1 70623380 343506417 /nfs/dbraw/zinc/50/64/17/343506417.db2.gz CHRZTUDBIIJJIC-SNVBAGLBSA-N 0 3 194.322 2.847 10 30 AFEEHN N#C[C@H]1CCCN(C2CCCCC2)C1 70663354 343522855 /nfs/dbraw/zinc/52/28/55/343522855.db2.gz CYBWIYDRHSZCBH-LLVKDONJSA-N 0 3 192.306 2.555 10 30 AFEEHN N#C[C@@H]1CCCN(C2CCCCC2)C1 70663355 343522882 /nfs/dbraw/zinc/52/28/82/343522882.db2.gz CYBWIYDRHSZCBH-NSHDSACASA-N 0 3 192.306 2.555 10 30 AFEEHN CC(C)[C@H]1CCCC[C@@H]1NCCC#N 125666735 343791202 /nfs/dbraw/zinc/79/12/02/343791202.db2.gz POVCDLQDIKEJIP-NEPJUHHUSA-N 0 3 194.322 2.704 10 30 AFEEHN CC(C)[C@@H]1CCCC[C@@H]1NCCC#N 125666486 343791380 /nfs/dbraw/zinc/79/13/80/343791380.db2.gz POVCDLQDIKEJIP-RYUDHWBXSA-N 0 3 194.322 2.704 10 30 AFEEHN CC(C)[C@@H]1CCCC[C@H]1NCCC#N 125666945 343791385 /nfs/dbraw/zinc/79/13/85/343791385.db2.gz POVCDLQDIKEJIP-NWDGAFQWSA-N 0 3 194.322 2.704 10 30 AFEEHN CC(C)[C@H]1CCCC[C@H]1NCCC#N 125667181 343791489 /nfs/dbraw/zinc/79/14/89/343791489.db2.gz POVCDLQDIKEJIP-VXGBXAGGSA-N 0 3 194.322 2.704 10 30 AFEEHN C=CCC[C@H](C)N[C@H]1CCC[C@@H]1C#N 126923610 343800339 /nfs/dbraw/zinc/80/03/39/343800339.db2.gz HQKIMWRXYSVSFC-TUAOUCFPSA-N 0 3 192.306 2.623 10 30 AFEEHN C=CCC[C@H](C)N[C@@H]1CCC[C@@H]1C#N 126923148 343800459 /nfs/dbraw/zinc/80/04/59/343800459.db2.gz HQKIMWRXYSVSFC-QJPTWQEYSA-N 0 3 192.306 2.623 10 30 AFEEHN CN(C1CCC1)[C@@H]1CCCC[C@@H]1C#N 127433339 343811653 /nfs/dbraw/zinc/81/16/53/343811653.db2.gz UFBIDVVFJFNARM-ZYHUDNBSSA-N 0 3 192.306 2.553 10 30 AFEEHN CN(C1CCC1)[C@H]1CCCC[C@@H]1C#N 127433617 343811819 /nfs/dbraw/zinc/81/18/19/343811819.db2.gz UFBIDVVFJFNARM-PWSUYJOCSA-N 0 3 192.306 2.553 10 30 AFEEHN C=CCC[C@@H](N)c1ccc(CC)o1 128997689 343841701 /nfs/dbraw/zinc/84/17/01/343841701.db2.gz VRBARQJOKNTTCZ-SNVBAGLBSA-N 0 3 179.263 2.808 10 30 AFEEHN C=CCC[C@@H](N)c1ccc(C)o1 128990158 343841720 /nfs/dbraw/zinc/84/17/20/343841720.db2.gz KEPROJWJAZJVSR-SECBINFHSA-N 0 3 165.236 2.554 10 30 AFEEHN C=CCC[C@H](N)c1ccc(C)o1 128990413 343841998 /nfs/dbraw/zinc/84/19/98/343841998.db2.gz KEPROJWJAZJVSR-VIFPVBQESA-N 0 3 165.236 2.554 10 30 AFEEHN C=CCC[C@H](N)c1ccc(CC)o1 128997903 343842507 /nfs/dbraw/zinc/84/25/07/343842507.db2.gz VRBARQJOKNTTCZ-JTQLQIEISA-N 0 3 179.263 2.808 10 30 AFEEHN C=CCN[C@H]1CCc2ccc(C)cc21 129358675 343848575 /nfs/dbraw/zinc/84/85/75/343848575.db2.gz TXBROSLQBFBHMR-ZDUSSCGKSA-N 0 3 187.286 2.758 10 30 AFEEHN C=CCN[C@@H]1CCc2ccc(C)cc21 129358471 343848719 /nfs/dbraw/zinc/84/87/19/343848719.db2.gz TXBROSLQBFBHMR-CYBMUJFWSA-N 0 3 187.286 2.758 10 30 AFEEHN C#C[C@@H](NC)c1c(C)cc(C)cc1C 130085311 343861606 /nfs/dbraw/zinc/86/16/06/343861606.db2.gz LLGAJKSUZHIQKJ-GFCCVEGCSA-N 0 3 187.286 2.506 10 30 AFEEHN C#C[C@H](NC)c1c(C)cc(C)cc1C 130085527 343861623 /nfs/dbraw/zinc/86/16/23/343861623.db2.gz LLGAJKSUZHIQKJ-LBPRGKRZSA-N 0 3 187.286 2.506 10 30 AFEEHN C#C[C@H](N)c1csc2ccccc12 130090665 343861840 /nfs/dbraw/zinc/86/18/40/343861840.db2.gz DXMYKFAGYPEKKW-JTQLQIEISA-N 0 3 187.267 2.534 10 30 AFEEHN C#C[C@@H](N)c1csc2ccccc12 130090890 343862010 /nfs/dbraw/zinc/86/20/10/343862010.db2.gz DXMYKFAGYPEKKW-SNVBAGLBSA-N 0 3 187.267 2.534 10 30 AFEEHN C#C[C@@H](NC)c1cc(Cl)ccc1C 130184664 343863825 /nfs/dbraw/zinc/86/38/25/343863825.db2.gz GCHHRYGVIKPVEY-LLVKDONJSA-N 0 3 193.677 2.542 10 30 AFEEHN C#C[C@H](NC)c1cc(Cl)ccc1C 130184855 343863988 /nfs/dbraw/zinc/86/39/88/343863988.db2.gz GCHHRYGVIKPVEY-NSHDSACASA-N 0 3 193.677 2.542 10 30 AFEEHN C#C[C@@H](NCC)c1ccc(C)cc1C 130268188 343865402 /nfs/dbraw/zinc/86/54/02/343865402.db2.gz PRSJYOFTFTVIHS-CYBMUJFWSA-N 0 3 187.286 2.587 10 30 AFEEHN C#C[C@H](NCC)c1ccc(C)cc1C 130267972 343865467 /nfs/dbraw/zinc/86/54/67/343865467.db2.gz PRSJYOFTFTVIHS-ZDUSSCGKSA-N 0 3 187.286 2.587 10 30 AFEEHN C#C[C@H](NC)c1ccc(Cl)c(C)c1 130257081 343865563 /nfs/dbraw/zinc/86/55/63/343865563.db2.gz VNAWUNSWFUEULU-NSHDSACASA-N 0 3 193.677 2.542 10 30 AFEEHN C#C[C@@H](NC)c1ccc(Cl)c(C)c1 130256855 343865875 /nfs/dbraw/zinc/86/58/75/343865875.db2.gz VNAWUNSWFUEULU-LLVKDONJSA-N 0 3 193.677 2.542 10 30 AFEEHN C#C[C@@H](NC)c1ccc(C)c(Cl)c1 130311097 343866265 /nfs/dbraw/zinc/86/62/65/343866265.db2.gz BCHIYBSJMNOQOE-LLVKDONJSA-N 0 3 193.677 2.542 10 30 AFEEHN C#C[C@H](NC)c1ccc(C)c(Cl)c1 130311311 343866316 /nfs/dbraw/zinc/86/63/16/343866316.db2.gz BCHIYBSJMNOQOE-NSHDSACASA-N 0 3 193.677 2.542 10 30 AFEEHN C#C[C@@H](NC)c1cc(C)cc(Cl)c1 130324019 343867066 /nfs/dbraw/zinc/86/70/66/343867066.db2.gz JJAWWMCFAWFZLN-LLVKDONJSA-N 0 3 193.677 2.542 10 30 AFEEHN C#C[C@H](NC)c1cc(C)cc(Cl)c1 130324236 343867102 /nfs/dbraw/zinc/86/71/02/343867102.db2.gz JJAWWMCFAWFZLN-NSHDSACASA-N 0 3 193.677 2.542 10 30 AFEEHN C=C[C@H](N)c1cc2c(s1)CCCC2 130486928 343869240 /nfs/dbraw/zinc/86/92/40/343869240.db2.gz YLCHWYUNJSGLBH-VIFPVBQESA-N 0 3 193.315 2.813 10 30 AFEEHN C=C[C@@H](N)c1cc2c(s1)CCCC2 130487147 343869356 /nfs/dbraw/zinc/86/93/56/343869356.db2.gz YLCHWYUNJSGLBH-SECBINFHSA-N 0 3 193.315 2.813 10 30 AFEEHN C=C[C@@H](NC)c1ccc(Cl)s1 130549565 343870476 /nfs/dbraw/zinc/87/04/76/343870476.db2.gz YTHOVBFTRJYEAN-ZCFIWIBFSA-N 0 3 187.695 2.848 10 30 AFEEHN C=C[C@@H](NC)c1cc(C)cc(C)c1 130518410 343869795 /nfs/dbraw/zinc/86/97/95/343869795.db2.gz FWBGJDZYVNBFMP-GFCCVEGCSA-N 0 3 175.275 2.750 10 30 AFEEHN C=C[C@H](NC)c1cc(C)cc(C)c1 130518651 343869838 /nfs/dbraw/zinc/86/98/38/343869838.db2.gz FWBGJDZYVNBFMP-LBPRGKRZSA-N 0 3 175.275 2.750 10 30 AFEEHN C=C[C@H](NC)c1ccc(C)s1 130544518 343869866 /nfs/dbraw/zinc/86/98/66/343869866.db2.gz BCDPRRJFKAMIOW-QMMMGPOBSA-N 0 3 167.277 2.503 10 30 AFEEHN C=C[C@@H](NC)c1ccc(C)s1 130544295 343869933 /nfs/dbraw/zinc/86/99/33/343869933.db2.gz BCDPRRJFKAMIOW-MRVPVSSYSA-N 0 3 167.277 2.503 10 30 AFEEHN C=C[C@H](NC)c1ccc(Cl)s1 130549353 343870317 /nfs/dbraw/zinc/87/03/17/343870317.db2.gz YTHOVBFTRJYEAN-LURJTMIESA-N 0 3 187.695 2.848 10 30 AFEEHN C=C[C@@H](NC)c1sccc1C 130675388 343872820 /nfs/dbraw/zinc/87/28/20/343872820.db2.gz KHIBDVNUSKEIBT-MRVPVSSYSA-N 0 3 167.277 2.503 10 30 AFEEHN C=C[C@H](NC)c1sccc1C 130675595 343872829 /nfs/dbraw/zinc/87/28/29/343872829.db2.gz KHIBDVNUSKEIBT-QMMMGPOBSA-N 0 3 167.277 2.503 10 30 AFEEHN C=C(C)C[C@@H](N)c1ccc(CC)o1 130849913 343876233 /nfs/dbraw/zinc/87/62/33/343876233.db2.gz XCASUOUJDXVKNX-SNVBAGLBSA-N 0 3 179.263 2.808 10 30 AFEEHN C=C(C)C[C@H](N)c1ccc(C)o1 130842839 343876296 /nfs/dbraw/zinc/87/62/96/343876296.db2.gz QURKASOFOVUNFT-VIFPVBQESA-N 0 3 165.236 2.554 10 30 AFEEHN C=C(C)C[C@@H](N)c1ccc(C)o1 130842617 343876466 /nfs/dbraw/zinc/87/64/66/343876466.db2.gz QURKASOFOVUNFT-SECBINFHSA-N 0 3 165.236 2.554 10 30 AFEEHN C=C(C)C[C@H](N)c1ccc(CC)o1 130850147 343876520 /nfs/dbraw/zinc/87/65/20/343876520.db2.gz XCASUOUJDXVKNX-JTQLQIEISA-N 0 3 179.263 2.808 10 30 AFEEHN C=C(C)C[C@H](N)c1cccc(F)c1F 130903909 343876984 /nfs/dbraw/zinc/87/69/84/343876984.db2.gz FZEOISVTAARLDK-JTQLQIEISA-N 0 3 197.228 2.931 10 30 AFEEHN C=C(C)C[C@@H](N)c1cccc(F)c1F 130904094 343877134 /nfs/dbraw/zinc/87/71/34/343877134.db2.gz FZEOISVTAARLDK-SNVBAGLBSA-N 0 3 197.228 2.931 10 30 AFEEHN C=C(C)[C@H](NC)c1ccc(C)s1 131302420 343883190 /nfs/dbraw/zinc/88/31/90/343883190.db2.gz HNGPQCZLKKBPOA-JTQLQIEISA-N 0 3 181.304 2.893 10 30 AFEEHN C=C(C)[C@H](N)c1cc(C)ccc1F 131279854 343883412 /nfs/dbraw/zinc/88/34/12/343883412.db2.gz PBALOMSBFDDNEE-NSHDSACASA-N 0 3 179.238 2.710 10 30 AFEEHN C=C(C)[C@H](N)c1cc(C)ccc1OC 131286734 343883330 /nfs/dbraw/zinc/88/33/30/343883330.db2.gz JNQCRWPTQAVVFL-LBPRGKRZSA-N 0 3 191.274 2.580 10 30 AFEEHN C=C(C)[C@@H](N)c1cc(C)ccc1F 131279674 343883353 /nfs/dbraw/zinc/88/33/53/343883353.db2.gz PBALOMSBFDDNEE-LLVKDONJSA-N 0 3 179.238 2.710 10 30 AFEEHN C=C(C)[C@@H](N)c1cccc(C)c1F 131296268 343883369 /nfs/dbraw/zinc/88/33/69/343883369.db2.gz UOQJCYTXFTXYDP-LLVKDONJSA-N 0 3 179.238 2.710 10 30 AFEEHN C=C(C)[C@H](N)c1cccc(C)c1F 131296475 343883480 /nfs/dbraw/zinc/88/34/80/343883480.db2.gz UOQJCYTXFTXYDP-NSHDSACASA-N 0 3 179.238 2.710 10 30 AFEEHN C=C(C)[C@H](N)c1cc2c(s1)CCC2 131277084 343883501 /nfs/dbraw/zinc/88/35/01/343883501.db2.gz ODTRSYMHLAVVCZ-NSHDSACASA-N 0 3 193.315 2.813 10 30 AFEEHN C=C(C)[C@@H](N)c1cc(C)ccc1OC 131286519 343883530 /nfs/dbraw/zinc/88/35/30/343883530.db2.gz JNQCRWPTQAVVFL-GFCCVEGCSA-N 0 3 191.274 2.580 10 30 AFEEHN C=C(C)[C@@H](NC)c1ccc(C)s1 131302210 343883537 /nfs/dbraw/zinc/88/35/37/343883537.db2.gz HNGPQCZLKKBPOA-SNVBAGLBSA-N 0 3 181.304 2.893 10 30 AFEEHN C=C(C)[C@@H](N)c1cc2c(s1)CCC2 131277287 343883556 /nfs/dbraw/zinc/88/35/56/343883556.db2.gz ODTRSYMHLAVVCZ-LLVKDONJSA-N 0 3 193.315 2.813 10 30 AFEEHN C=C(C)[C@H](N)c1c(C)oc(C)c1C 131320527 343883899 /nfs/dbraw/zinc/88/38/99/343883899.db2.gz CBBXWOLJYDCUFJ-NSHDSACASA-N 0 3 179.263 2.781 10 30 AFEEHN C=C(C)[C@@H](N)c1ccc(Cl)s1 131308277 343883927 /nfs/dbraw/zinc/88/39/27/343883927.db2.gz SQCHJDOYTINOFC-MRVPVSSYSA-N 0 3 187.695 2.977 10 30 AFEEHN C=C(C)[C@H](N)c1ccc(Cl)s1 131308093 343884116 /nfs/dbraw/zinc/88/41/16/343884116.db2.gz SQCHJDOYTINOFC-QMMMGPOBSA-N 0 3 187.695 2.977 10 30 AFEEHN C=C(C)[C@@H](N)c1c(C)oc(C)c1C 131320290 343884152 /nfs/dbraw/zinc/88/41/52/343884152.db2.gz CBBXWOLJYDCUFJ-LLVKDONJSA-N 0 3 179.263 2.781 10 30 AFEEHN C=C(C)[C@H](N)c1ccc(C)cc1F 131360533 343884457 /nfs/dbraw/zinc/88/44/57/343884457.db2.gz DZCDCLRUMHETQD-NSHDSACASA-N 0 3 179.238 2.710 10 30 AFEEHN C=C(C)[C@@H](NC)c1cccc(C)c1F 131360797 343884738 /nfs/dbraw/zinc/88/47/38/343884738.db2.gz ZURYNSIJEQLVEQ-GFCCVEGCSA-N 0 3 193.265 2.971 10 30 AFEEHN C=C(C)[C@@H](N)c1ccc(C)cc1F 131360300 343884826 /nfs/dbraw/zinc/88/48/26/343884826.db2.gz DZCDCLRUMHETQD-LLVKDONJSA-N 0 3 179.238 2.710 10 30 AFEEHN C=C(C)[C@H](NC)c1cccc(C)c1F 131361031 343884879 /nfs/dbraw/zinc/88/48/79/343884879.db2.gz ZURYNSIJEQLVEQ-LBPRGKRZSA-N 0 3 193.265 2.971 10 30 AFEEHN C=C(C)[C@H](N)c1sccc1C 131407012 343885438 /nfs/dbraw/zinc/88/54/38/343885438.db2.gz HXSRNBWYALFAOB-QMMMGPOBSA-N 0 3 167.277 2.632 10 30 AFEEHN C=C(C)[C@@H](N)c1sccc1C 131406845 343885312 /nfs/dbraw/zinc/88/53/12/343885312.db2.gz HXSRNBWYALFAOB-MRVPVSSYSA-N 0 3 167.277 2.632 10 30 AFEEHN C=C(C)[C@@H](N)c1cc(C)c(C)s1 131436033 343885390 /nfs/dbraw/zinc/88/53/90/343885390.db2.gz QISACKSNGRXARZ-SNVBAGLBSA-N 0 3 181.304 2.941 10 30 AFEEHN C=C(C)[C@H](N)c1sccc1Cl 131430408 343885410 /nfs/dbraw/zinc/88/54/10/343885410.db2.gz ZQWQGKCYVFQFLR-ZETCQYMHSA-N 0 3 187.695 2.977 10 30 AFEEHN C=C(C)[C@H](N)c1cc(C)c(C)s1 131436248 343885442 /nfs/dbraw/zinc/88/54/42/343885442.db2.gz QISACKSNGRXARZ-JTQLQIEISA-N 0 3 181.304 2.941 10 30 AFEEHN C=C(C)[C@H](N)c1cccc(F)c1F 131381948 343885478 /nfs/dbraw/zinc/88/54/78/343885478.db2.gz LYXBWZLTGHDIOW-JTQLQIEISA-N 0 3 183.201 2.541 10 30 AFEEHN C=C(C)[C@@H](N)c1sccc1Cl 131430626 343885486 /nfs/dbraw/zinc/88/54/86/343885486.db2.gz ZQWQGKCYVFQFLR-SSDOTTSWSA-N 0 3 187.695 2.977 10 30 AFEEHN C=C(C)[C@@H](N)c1cccc(F)c1F 131382153 343885492 /nfs/dbraw/zinc/88/54/92/343885492.db2.gz LYXBWZLTGHDIOW-SNVBAGLBSA-N 0 3 183.201 2.541 10 30 AFEEHN C=C(C)[C@@H](N)c1ccc(C)s1 131471163 343885749 /nfs/dbraw/zinc/88/57/49/343885749.db2.gz IMRHTLJQDMSOTM-SECBINFHSA-N 0 3 167.277 2.632 10 30 AFEEHN C=C(C)[C@H](N)c1ccc(SC)cc1 131451955 343885988 /nfs/dbraw/zinc/88/59/88/343885988.db2.gz WERRNFBKOSETAW-NSHDSACASA-N 0 3 193.315 2.984 10 30 AFEEHN C=C(C)[C@@H](N)c1ccc(SC)cc1 131452166 343886001 /nfs/dbraw/zinc/88/60/01/343886001.db2.gz WERRNFBKOSETAW-LLVKDONJSA-N 0 3 193.315 2.984 10 30 AFEEHN CCC/N=C/c1ccc(F)cc1 136598308 343981372 /nfs/dbraw/zinc/98/13/72/343981372.db2.gz XWXSBFWJJUSHND-XYOKQWHBSA-N 0 3 165.211 2.655 10 30 AFEEHN C=C(C)[C@H](N)c1cc(C)cc(F)c1 162589896 344210228 /nfs/dbraw/zinc/21/02/28/344210228.db2.gz FVOGJXRNPNQZNS-NSHDSACASA-N 0 3 179.238 2.710 10 30 AFEEHN C=C(C)[C@@H](N)c1cc(C)cc(F)c1 162589791 344210507 /nfs/dbraw/zinc/21/05/07/344210507.db2.gz FVOGJXRNPNQZNS-LLVKDONJSA-N 0 3 179.238 2.710 10 30 AFEEHN C=C(C)[C@H](NC)c1cc(C)cc(F)c1 162629378 344211235 /nfs/dbraw/zinc/21/12/35/344211235.db2.gz VCWMSENVUKIRHN-LBPRGKRZSA-N 0 3 193.265 2.971 10 30 AFEEHN C=C[C@@H](NC)c1cc(C)cc(F)c1 162633856 344211290 /nfs/dbraw/zinc/21/12/90/344211290.db2.gz UCWGXMQBKYHQST-LLVKDONJSA-N 0 3 179.238 2.581 10 30 AFEEHN C=C[C@H](NC)c1cc(C)cc(F)c1 162633957 344211302 /nfs/dbraw/zinc/21/13/02/344211302.db2.gz UCWGXMQBKYHQST-NSHDSACASA-N 0 3 179.238 2.581 10 30 AFEEHN C=C[C@H](N)c1cc(C)cc(Cl)c1 162733715 344212925 /nfs/dbraw/zinc/21/29/25/344212925.db2.gz CEXWODBPEHQMGJ-JTQLQIEISA-N 0 3 181.666 2.834 10 30 AFEEHN C=C[C@H](N)c1cccc(C)c1Cl 162733581 344213135 /nfs/dbraw/zinc/21/31/35/344213135.db2.gz YTEFHXKVKTUZQV-VIFPVBQESA-N 0 3 181.666 2.834 10 30 AFEEHN C=C(C)C[C@@H](N)c1ccoc1C 163785446 344229720 /nfs/dbraw/zinc/22/97/20/344229720.db2.gz WKSRFIHKCUJUHQ-SNVBAGLBSA-N 0 3 165.236 2.554 10 30 AFEEHN C=C(C)C[C@@H](N)c1occc1C 163901242 344232594 /nfs/dbraw/zinc/23/25/94/344232594.db2.gz NZGUBXHTNWQHAK-SECBINFHSA-N 0 3 165.236 2.554 10 30 AFEEHN C=C(C)C[C@H](N)c1occc1C 163901365 344232786 /nfs/dbraw/zinc/23/27/86/344232786.db2.gz NZGUBXHTNWQHAK-VIFPVBQESA-N 0 3 165.236 2.554 10 30 AFEEHN C=C(C)[C@@H](NC)c1ccc(C)nc1C 164086491 344236413 /nfs/dbraw/zinc/23/64/13/344236413.db2.gz PJFKWCKAEKMDBC-GFCCVEGCSA-N 0 3 190.290 2.535 10 30 AFEEHN C=C(C)[C@H](NC)c1ccc(C)nc1C 164086626 344237007 /nfs/dbraw/zinc/23/70/07/344237007.db2.gz PJFKWCKAEKMDBC-LBPRGKRZSA-N 0 3 190.290 2.535 10 30 AFEEHN CC(C)C[C@H](C)NCC(C)(C)C#N 164673894 344249519 /nfs/dbraw/zinc/24/95/19/344249519.db2.gz OYALHVQDXYODGT-JTQLQIEISA-N 0 3 182.311 2.560 10 30 AFEEHN CC(C)C[C@@H](C)NCC(C)(C)C#N 164673787 344249773 /nfs/dbraw/zinc/24/97/73/344249773.db2.gz OYALHVQDXYODGT-SNVBAGLBSA-N 0 3 182.311 2.560 10 30 AFEEHN CCC[C@H](C)CNCC(C)(C)C#N 164697453 344250142 /nfs/dbraw/zinc/25/01/42/344250142.db2.gz XQCRNNDRLPIPJR-JTQLQIEISA-N 0 3 182.311 2.562 10 30 AFEEHN CCC[C@@H](C)CNCC(C)(C)C#N 164697359 344250174 /nfs/dbraw/zinc/25/01/74/344250174.db2.gz XQCRNNDRLPIPJR-SNVBAGLBSA-N 0 3 182.311 2.562 10 30 AFEEHN C[C@H](C#N)CN1CC[C@H](C(C)(C)C)C1 166192230 344276375 /nfs/dbraw/zinc/27/63/75/344276375.db2.gz IFESGXUVUUZHPO-MNOVXSKESA-N 0 3 194.322 2.514 10 30 AFEEHN C[C@@H](C#N)CN1CC[C@H](C(C)(C)C)C1 166192359 344276389 /nfs/dbraw/zinc/27/63/89/344276389.db2.gz IFESGXUVUUZHPO-QWRGUYRKSA-N 0 3 194.322 2.514 10 30 AFEEHN C#C[C@@H](C)N[C@@H](C)c1cccc(C)c1 166520096 344283411 /nfs/dbraw/zinc/28/34/11/344283411.db2.gz XVSPZWHHHCUZEO-NEPJUHHUSA-N 0 3 187.286 2.667 10 30 AFEEHN C#C[C@H](C)N[C@H](C)c1cccc(C)c1 166519777 344283510 /nfs/dbraw/zinc/28/35/10/344283510.db2.gz XVSPZWHHHCUZEO-NWDGAFQWSA-N 0 3 187.286 2.667 10 30 AFEEHN C#C[C@H](C)N[C@@H](C)c1cccc(C)c1 166519886 344283557 /nfs/dbraw/zinc/28/35/57/344283557.db2.gz XVSPZWHHHCUZEO-RYUDHWBXSA-N 0 3 187.286 2.667 10 30 AFEEHN C#C[C@@H](C)N[C@H](C)c1cccc(C)c1 166520002 344283566 /nfs/dbraw/zinc/28/35/66/344283566.db2.gz XVSPZWHHHCUZEO-VXGBXAGGSA-N 0 3 187.286 2.667 10 30 AFEEHN C[C@H]1C[C@@H](C)CN([C@@H](C)CC#N)[C@H]1C 166708694 344287800 /nfs/dbraw/zinc/28/78/00/344287800.db2.gz BNQWGIJVZBNYDM-RHYQMDGZSA-N 0 3 194.322 2.655 10 30 AFEEHN CC(C)c1ccc(C#C[C@H](C)N)cc1 166993103 344294344 /nfs/dbraw/zinc/29/43/44/344294344.db2.gz PTNCVYYZJQOMPT-NSHDSACASA-N 0 3 187.286 2.509 10 30 AFEEHN CC(C)c1ccc(C#C[C@@H](C)N)cc1 166993003 344294486 /nfs/dbraw/zinc/29/44/86/344294486.db2.gz PTNCVYYZJQOMPT-LLVKDONJSA-N 0 3 187.286 2.509 10 30 AFEEHN C#CC[C@H](NC)c1ccc(Cl)s1 168584733 344332918 /nfs/dbraw/zinc/33/29/18/344332918.db2.gz AIYUTQDHXDNRJN-ZETCQYMHSA-N 0 3 199.706 2.685 10 30 AFEEHN C#CC[C@@H](NC)c1ccc(Cl)s1 168584826 344332985 /nfs/dbraw/zinc/33/29/85/344332985.db2.gz AIYUTQDHXDNRJN-SSDOTTSWSA-N 0 3 199.706 2.685 10 30 AFEEHN C#CC[C@H](N)c1c(F)cccc1Cl 168600858 344333381 /nfs/dbraw/zinc/33/33/81/344333381.db2.gz XXRRXYQRNDXXFZ-VIFPVBQESA-N 0 3 197.640 2.502 10 30 AFEEHN C#CC[C@@H](N)c1cccc(C)c1Cl 168613838 344333553 /nfs/dbraw/zinc/33/35/53/344333553.db2.gz SCECPIPKRDJBDX-SNVBAGLBSA-N 0 3 193.677 2.672 10 30 AFEEHN C#CC[C@H](N)c1cccc(C)c1Cl 168613929 344333658 /nfs/dbraw/zinc/33/36/58/344333658.db2.gz SCECPIPKRDJBDX-JTQLQIEISA-N 0 3 193.677 2.672 10 30 AFEEHN C#CC[C@@H](N)c1cccc(F)c1Cl 168621191 344333856 /nfs/dbraw/zinc/33/38/56/344333856.db2.gz ZZWBLVNIIGYWRZ-SECBINFHSA-N 0 3 197.640 2.502 10 30 AFEEHN C#CC[C@H](N)c1cccc(F)c1Cl 168621099 344333958 /nfs/dbraw/zinc/33/39/58/344333958.db2.gz ZZWBLVNIIGYWRZ-VIFPVBQESA-N 0 3 197.640 2.502 10 30 AFEEHN C=CCN(C)Cc1ccc(C)s1 196680729 344358397 /nfs/dbraw/zinc/35/83/97/344358397.db2.gz DQKKEEVZCIQKGG-UHFFFAOYSA-N 0 3 181.304 2.674 10 30 AFEEHN C=CCN[C@@H]1CCc2c(F)cccc21 214700579 344382678 /nfs/dbraw/zinc/38/26/78/344382678.db2.gz LIIUIVLOHCKSBM-GFCCVEGCSA-N 0 3 191.249 2.589 10 30 AFEEHN C=CCN[C@H]1CCc2c(F)cccc21 214700636 344382783 /nfs/dbraw/zinc/38/27/83/344382783.db2.gz LIIUIVLOHCKSBM-LBPRGKRZSA-N 0 3 191.249 2.589 10 30 AFEEHN C[C@@H]1CCC[C@@H](N(C)[C@H](C)CC#N)C1 218569654 344413636 /nfs/dbraw/zinc/41/36/36/344413636.db2.gz SJLRRVNWDPOUJD-IJLUTSLNSA-N 0 3 194.322 2.799 10 30 AFEEHN C[C@H](C#N)CN(C)[C@@H]1CCC[C@@H](C)C1 218568236 344413661 /nfs/dbraw/zinc/41/36/61/344413661.db2.gz OTHHTXHIYKQQEU-IJLUTSLNSA-N 0 3 194.322 2.657 10 30 AFEEHN C#C[C@@H](NC)c1cccc(Cl)c1C 220428097 344432634 /nfs/dbraw/zinc/43/26/34/344432634.db2.gz LVRGGFKJSDMTFX-LLVKDONJSA-N 0 3 193.677 2.542 10 30 AFEEHN C#C[C@H](NC)c1cccc(Cl)c1C 220428166 344432791 /nfs/dbraw/zinc/43/27/91/344432791.db2.gz LVRGGFKJSDMTFX-NSHDSACASA-N 0 3 193.677 2.542 10 30 AFEEHN CC[C@H](CC#N)N1C[C@H](C)C[C@@H](C)C1 221888591 344447268 /nfs/dbraw/zinc/44/72/68/344447268.db2.gz MRYGQCLQKSSEFC-IJLUTSLNSA-N 0 3 194.322 2.657 10 30 AFEEHN CCCN(C)[C@@H]1C[C@@H](C)CC[C@@H]1C#N 222220983 344450219 /nfs/dbraw/zinc/45/02/19/344450219.db2.gz KPEHBCTVIUKOKE-QJPTWQEYSA-N 0 3 194.322 2.657 10 30 AFEEHN CC[C@H](CC#N)N1CCC[C@@H](C)[C@@H]1C 224698889 344472678 /nfs/dbraw/zinc/47/26/78/344472678.db2.gz XLHSDGWRTDOBPO-GRYCIOLGSA-N 0 3 194.322 2.799 10 30 AFEEHN C=C(Cl)CN[C@@H]1CC[C@H](C)[C@@H]1C 225115400 344476869 /nfs/dbraw/zinc/47/68/69/344476869.db2.gz MPJQEIHGKMHVRL-UJNFCWOMSA-N 0 3 187.714 2.763 10 30 AFEEHN C=C(Cl)CN[C@@H]1CC[C@@H](C)[C@@H]1C 225115326 344476918 /nfs/dbraw/zinc/47/69/18/344476918.db2.gz MPJQEIHGKMHVRL-FKTZTGRPSA-N 0 3 187.714 2.763 10 30 AFEEHN CC[C@H](CC#N)N1CC[C@@H](C)C[C@@H]1C 225720972 344485261 /nfs/dbraw/zinc/48/52/61/344485261.db2.gz MDONDDUAENHROU-GRYCIOLGSA-N 0 3 194.322 2.799 10 30 AFEEHN C[C@H](C#N)CN[C@@H]1CCC[C@@H](C)CC1 226501713 344505098 /nfs/dbraw/zinc/50/50/98/344505098.db2.gz HSAZMYXOSZCJMA-IJLUTSLNSA-N 0 3 194.322 2.704 10 30 AFEEHN CC(C#N)C(=O)[C@H]1CCCC1(C)C 226593272 344507655 /nfs/dbraw/zinc/50/76/55/344507655.db2.gz NHKAZKDVGYGXHS-DTWKUNHWSA-N 0 3 179.263 2.541 10 30 AFEEHN CC(C#N)C(=O)[C@@H]1CCCC1(C)C 226593264 344507751 /nfs/dbraw/zinc/50/77/51/344507751.db2.gz NHKAZKDVGYGXHS-BDAKNGLRSA-N 0 3 179.263 2.541 10 30 AFEEHN CC(C#N)C(=O)[C@@H]1CCCC1(C)C 226593259 344507761 /nfs/dbraw/zinc/50/77/61/344507761.db2.gz NHKAZKDVGYGXHS-IUCAKERBSA-N 0 3 179.263 2.541 10 30 AFEEHN C=C(C)[C@H](NC)c1ncc(C)cc1C 227566513 344535560 /nfs/dbraw/zinc/53/55/60/344535560.db2.gz GLSIKTNNVPSOHC-NSHDSACASA-N 0 3 190.290 2.535 10 30 AFEEHN C=C(C)[C@@H](NC)c1ncc(C)cc1C 227566505 344535623 /nfs/dbraw/zinc/53/56/23/344535623.db2.gz GLSIKTNNVPSOHC-LLVKDONJSA-N 0 3 190.290 2.535 10 30 AFEEHN C[C@H]1CCCCC[C@H]1N[C@H](C)CC#N 227922512 344550367 /nfs/dbraw/zinc/55/03/67/344550367.db2.gz YHPIKMNGJXMEDU-QJPTWQEYSA-N 0 3 194.322 2.847 10 30 AFEEHN C[C@H]1CCCCC[C@@H]1N[C@H](C)CC#N 227922520 344550448 /nfs/dbraw/zinc/55/04/48/344550448.db2.gz YHPIKMNGJXMEDU-TUAOUCFPSA-N 0 3 194.322 2.847 10 30 AFEEHN CC1(N[C@H]2CCCC[C@H]2C#N)CCC1 228849090 344570511 /nfs/dbraw/zinc/57/05/11/344570511.db2.gz PCXWGDOLQQOQSK-QWRGUYRKSA-N 0 3 192.306 2.601 10 30 AFEEHN CC1(N[C@@H]2CCCC[C@H]2C#N)CCC1 228849083 344570599 /nfs/dbraw/zinc/57/05/99/344570599.db2.gz PCXWGDOLQQOQSK-WDEREUQCSA-N 0 3 192.306 2.601 10 30 AFEEHN CC1(N[C@H]2CCCC[C@@H]2C#N)CCC1 228849077 344570709 /nfs/dbraw/zinc/57/07/09/344570709.db2.gz PCXWGDOLQQOQSK-MNOVXSKESA-N 0 3 192.306 2.601 10 30 AFEEHN CC1(N[C@@H]2CCCC[C@@H]2C#N)CCC1 228849070 344570735 /nfs/dbraw/zinc/57/07/35/344570735.db2.gz PCXWGDOLQQOQSK-GHMZBOCLSA-N 0 3 192.306 2.601 10 30 AFEEHN CCC1(N[C@@H]2CCC[C@@H]2C#N)CCC1 229492926 344598281 /nfs/dbraw/zinc/59/82/81/344598281.db2.gz AVPCIJDMFZYERY-GHMZBOCLSA-N 0 3 192.306 2.601 10 30 AFEEHN CCC1(N[C@H]2CCC[C@H]2C#N)CCC1 229492955 344598303 /nfs/dbraw/zinc/59/83/03/344598303.db2.gz AVPCIJDMFZYERY-QWRGUYRKSA-N 0 3 192.306 2.601 10 30 AFEEHN CCC1(N[C@@H]2CCC[C@H]2C#N)CCC1 229492944 344598450 /nfs/dbraw/zinc/59/84/50/344598450.db2.gz AVPCIJDMFZYERY-WDEREUQCSA-N 0 3 192.306 2.601 10 30 AFEEHN C#C[C@H](C)N[C@@H](C)c1ccccc1C 229520960 344600012 /nfs/dbraw/zinc/60/00/12/344600012.db2.gz VUOLPRSYSOOFBQ-RYUDHWBXSA-N 0 3 187.286 2.667 10 30 AFEEHN C#C[C@H](C)N[C@H](C)c1ccccc1C 229520981 344600131 /nfs/dbraw/zinc/60/01/31/344600131.db2.gz VUOLPRSYSOOFBQ-NWDGAFQWSA-N 0 3 187.286 2.667 10 30 AFEEHN C#C[C@H](C)N[C@@H](C)c1ccc(C)cc1 229521624 344600135 /nfs/dbraw/zinc/60/01/35/344600135.db2.gz AFCVHQBBPIORBI-RYUDHWBXSA-N 0 3 187.286 2.667 10 30 AFEEHN C#C[C@@H](C)N[C@@H](C)c1ccc(C)cc1 229521617 344600147 /nfs/dbraw/zinc/60/01/47/344600147.db2.gz AFCVHQBBPIORBI-NEPJUHHUSA-N 0 3 187.286 2.667 10 30 AFEEHN C#C[C@@H](C)N[C@H](C)c1ccccc1C 229520970 344600202 /nfs/dbraw/zinc/60/02/02/344600202.db2.gz VUOLPRSYSOOFBQ-VXGBXAGGSA-N 0 3 187.286 2.667 10 30 AFEEHN CCC[C@H](N)C#Cc1csc(C)c1 229904684 344619545 /nfs/dbraw/zinc/61/95/45/344619545.db2.gz SLOZNIXJDNGOPK-NSHDSACASA-N 0 3 193.315 2.535 10 30 AFEEHN CCC[C@@H](N)C#Cc1sccc1C 229905989 344619631 /nfs/dbraw/zinc/61/96/31/344619631.db2.gz GUJIEQNIIWRVNF-SNVBAGLBSA-N 0 3 193.315 2.535 10 30 AFEEHN CCC[C@H](N)C#Cc1sccc1C 229905994 344619794 /nfs/dbraw/zinc/61/97/94/344619794.db2.gz GUJIEQNIIWRVNF-JTQLQIEISA-N 0 3 193.315 2.535 10 30 AFEEHN CCC[C@H](N)C#Cc1ccc(C)s1 229904981 344619864 /nfs/dbraw/zinc/61/98/64/344619864.db2.gz YWEHSMSVDMGBAP-JTQLQIEISA-N 0 3 193.315 2.535 10 30 AFEEHN CCC[C@@H](N)C#Cc1ccc(C)s1 229904974 344619916 /nfs/dbraw/zinc/61/99/16/344619916.db2.gz 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/nfs/dbraw/zinc/67/76/98/344677698.db2.gz WLSHEFRKWCOVEY-VIFPVBQESA-N 0 3 197.665 2.736 10 30 AFEEHN C=C(C)C[C@H](N)c1ccc(Cl)o1 232459175 344677798 /nfs/dbraw/zinc/67/77/98/344677798.db2.gz HNGQCKHRIXKVPD-ZETCQYMHSA-N 0 3 185.654 2.899 10 30 AFEEHN C=C(C)C[C@H](N)c1ncccc1Cl 232459481 344677837 /nfs/dbraw/zinc/67/78/37/344677837.db2.gz QTCWXCAJMPULHQ-VIFPVBQESA-N 0 3 196.681 2.701 10 30 AFEEHN CC#CCC[C@H](N)c1ccc(Cl)o1 232457468 344677921 /nfs/dbraw/zinc/67/79/21/344677921.db2.gz CBJXDEHBTXNYGI-QMMMGPOBSA-N 0 3 197.665 2.736 10 30 AFEEHN CC#CCC[C@@H](N)c1ccc(Cl)o1 232478582 344679963 /nfs/dbraw/zinc/67/99/63/344679963.db2.gz CBJXDEHBTXNYGI-MRVPVSSYSA-N 0 3 197.665 2.736 10 30 AFEEHN CC#CCC[C@@H](N)c1ccoc1Cl 232478828 344680054 /nfs/dbraw/zinc/68/00/54/344680054.db2.gz WLSHEFRKWCOVEY-SECBINFHSA-N 0 3 197.665 2.736 10 30 AFEEHN CC(C)C1CC(NCC(C)(C)C#N)C1 232557953 344682663 /nfs/dbraw/zinc/68/26/63/344682663.db2.gz MNLNZFAXEGHJEO-UHFFFAOYSA-N 0 3 194.322 2.560 10 30 AFEEHN C=C(C)[C@@H](N)c1ccoc1Cl 232557539 344682723 /nfs/dbraw/zinc/68/27/23/344682723.db2.gz JECNLCPFGBDEJH-SSDOTTSWSA-N 0 3 171.627 2.509 10 30 AFEEHN CC[C@@H](CC#N)NCC1(C(C)C)CC1 233869099 344705399 /nfs/dbraw/zinc/70/53/99/344705399.db2.gz ASUIECZUMLWVJW-NSHDSACASA-N 0 3 194.322 2.704 10 30 AFEEHN CC[C@@H](CC#N)NC1CC(C(C)C)C1 233868898 344705403 /nfs/dbraw/zinc/70/54/03/344705403.db2.gz MHXUNIBCPWPDHO-CXQJBGSLSA-N 0 3 194.322 2.703 10 30 AFEEHN CC[C@H](CC#N)NCC1(C(C)C)CC1 234038315 344710719 /nfs/dbraw/zinc/71/07/19/344710719.db2.gz ASUIECZUMLWVJW-LLVKDONJSA-N 0 3 194.322 2.704 10 30 AFEEHN CC[C@H](CC#N)NC1CC(C(C)C)C1 234037828 344710757 /nfs/dbraw/zinc/71/07/57/344710757.db2.gz MHXUNIBCPWPDHO-MOENNCHZSA-N 0 3 194.322 2.703 10 30 AFEEHN C#C[C@H](NC)c1ccc(Cl)cc1C 234392865 344719633 /nfs/dbraw/zinc/71/96/33/344719633.db2.gz GRIMVQYAELDADM-NSHDSACASA-N 0 3 193.677 2.542 10 30 AFEEHN C=C[C@H](NC)c1c(C)cccc1C 234431212 344720562 /nfs/dbraw/zinc/72/05/62/344720562.db2.gz AVPBWDUJURJXOK-NSHDSACASA-N 0 3 175.275 2.750 10 30 AFEEHN C#C[C@@H](NC)c1ccc(Cl)cc1C 234448930 344720844 /nfs/dbraw/zinc/72/08/44/344720844.db2.gz GRIMVQYAELDADM-LLVKDONJSA-N 0 3 193.677 2.542 10 30 AFEEHN C=C[C@@H](NC)c1c(C)cccc1C 234480068 344721186 /nfs/dbraw/zinc/72/11/86/344721186.db2.gz AVPBWDUJURJXOK-LLVKDONJSA-N 0 3 175.275 2.750 10 30 AFEEHN CC(C#N)C(=O)C1(C)CCCCC1 235067061 344732428 /nfs/dbraw/zinc/73/24/28/344732428.db2.gz IJPQQBLIHNTLLG-VIFPVBQESA-N 0 3 179.263 2.686 10 30 AFEEHN CC(C#N)C(=O)C1(C)CCCCC1 235417010 344749035 /nfs/dbraw/zinc/74/90/35/344749035.db2.gz IJPQQBLIHNTLLG-SECBINFHSA-N 0 3 179.263 2.686 10 30 AFEEHN C#CC[C@@H](N)c1scc(C)c1Cl 235795999 344766784 /nfs/dbraw/zinc/76/67/84/344766784.db2.gz UMOQTVCZHSFQTA-SSDOTTSWSA-N 0 3 199.706 2.733 10 30 AFEEHN C#CC[C@H](N)c1scc(C)c1Cl 235794328 344766789 /nfs/dbraw/zinc/76/67/89/344766789.db2.gz UMOQTVCZHSFQTA-ZETCQYMHSA-N 0 3 199.706 2.733 10 30 AFEEHN C#CC[C@H](N)c1ccc(C)cc1Cl 235800976 344767143 /nfs/dbraw/zinc/76/71/43/344767143.db2.gz KKGZQRCDFDALDY-NSHDSACASA-N 0 3 193.677 2.672 10 30 AFEEHN C#CC[C@@H](N)c1ccc(C)cc1Cl 235814712 344767729 /nfs/dbraw/zinc/76/77/29/344767729.db2.gz KKGZQRCDFDALDY-LLVKDONJSA-N 0 3 193.677 2.672 10 30 AFEEHN C=CC[C@H](N)c1ccoc1Cl 236287183 344779651 /nfs/dbraw/zinc/77/96/51/344779651.db2.gz UQIWGQDHSHFPRT-ZETCQYMHSA-N 0 3 171.627 2.509 10 30 AFEEHN C(=N/CCc1ccccc1)\c1ccc[nH]1 238014319 344791635 /nfs/dbraw/zinc/79/16/35/344791635.db2.gz LTCTYXQPSIBVGY-SDNWHVSQSA-N 0 3 198.269 2.676 10 30 AFEEHN CC/C(=N/C)c1c[nH]c2ccccc12 238278649 344798440 /nfs/dbraw/zinc/79/84/40/344798440.db2.gz DKVREKJXEISKJW-QBFSEMIESA-N 0 3 186.258 2.997 10 30 AFEEHN C=C[C@H](N)c1csc(Cl)c1 238605361 344815408 /nfs/dbraw/zinc/81/54/08/344815408.db2.gz CYBUAVPNLYGCBB-LURJTMIESA-N 0 3 173.668 2.587 10 30 AFEEHN CC(C)CCN(C)[C@@H]1CCC[C@H]1C#N 250548902 344836392 /nfs/dbraw/zinc/83/63/92/344836392.db2.gz HCMDNZYTBIUJCT-NWDGAFQWSA-N 0 3 194.322 2.657 10 30 AFEEHN CN(CC(C)(C)C)[C@@H]1CCC[C@H]1C#N 250696476 344839659 /nfs/dbraw/zinc/83/96/59/344839659.db2.gz LZQMBVFJDOWVLW-WDEREUQCSA-N 0 3 194.322 2.657 10 30 AFEEHN CN(CC(C)(C)C)[C@H]1CCC[C@H]1C#N 250696472 344839697 /nfs/dbraw/zinc/83/96/97/344839697.db2.gz LZQMBVFJDOWVLW-QWRGUYRKSA-N 0 3 194.322 2.657 10 30 AFEEHN CCC(C)(C)N(C)[C@H]1CCC[C@H]1C#N 251187403 344848568 /nfs/dbraw/zinc/84/85/68/344848568.db2.gz ADUHVXKSTXKBBM-QWRGUYRKSA-N 0 3 194.322 2.799 10 30 AFEEHN CC[C@H](N[C@@H]1CCC[C@H]1C#N)C(C)C 251243013 344850380 /nfs/dbraw/zinc/85/03/80/344850380.db2.gz JBTANJDKWPRDST-SDDRHHMPSA-N 0 3 194.322 2.703 10 30 AFEEHN CCC[C@H](C)CN(C)C[C@H](C)C#N 251237364 344850410 /nfs/dbraw/zinc/85/04/10/344850410.db2.gz ADDSZRNMHZPBTQ-WDEREUQCSA-N 0 3 182.311 2.514 10 30 AFEEHN CCC[C@@H](C)CN(C)[C@H](C)CC#N 251256308 344850427 /nfs/dbraw/zinc/85/04/27/344850427.db2.gz CHWCFHAFDWXBRC-GHMZBOCLSA-N 0 3 182.311 2.657 10 30 AFEEHN CC[C@H](N[C@H]1CCC[C@H]1C#N)C(C)C 251243014 344850463 /nfs/dbraw/zinc/85/04/63/344850463.db2.gz JBTANJDKWPRDST-SRVKXCTJSA-N 0 3 194.322 2.703 10 30 AFEEHN CCC[C@@H](C)CN(C)C[C@H](C)C#N 251237360 344850490 /nfs/dbraw/zinc/85/04/90/344850490.db2.gz ADDSZRNMHZPBTQ-GHMZBOCLSA-N 0 3 182.311 2.514 10 30 AFEEHN CCC[C@H](C)CN(C)[C@H](C)CC#N 251256312 344850581 /nfs/dbraw/zinc/85/05/81/344850581.db2.gz CHWCFHAFDWXBRC-WDEREUQCSA-N 0 3 182.311 2.657 10 30 AFEEHN CC(C)[C@H](C)N[C@@H]1CCCC[C@H]1C#N 251336704 344852171 /nfs/dbraw/zinc/85/21/71/344852171.db2.gz PLSIIWFXYBMSNX-SDDRHHMPSA-N 0 3 194.322 2.703 10 30 AFEEHN CCCC[C@H](C)N[C@H]1CCC[C@H]1C#N 251343808 344852224 /nfs/dbraw/zinc/85/22/24/344852224.db2.gz MQSFMJNMWMCCKP-SRVKXCTJSA-N 0 3 194.322 2.847 10 30 AFEEHN CCCC[C@H](C)N[C@@H]1CCC[C@H]1C#N 251343805 344852401 /nfs/dbraw/zinc/85/24/01/344852401.db2.gz MQSFMJNMWMCCKP-SDDRHHMPSA-N 0 3 194.322 2.847 10 30 AFEEHN CC(C)[C@H](C)N[C@H]1CCCC[C@H]1C#N 251336707 344852420 /nfs/dbraw/zinc/85/24/20/344852420.db2.gz PLSIIWFXYBMSNX-SRVKXCTJSA-N 0 3 194.322 2.703 10 30 AFEEHN CC[C@H](CC#N)N1CC[C@@H](C)C[C@H]1C 251349427 344852816 /nfs/dbraw/zinc/85/28/16/344852816.db2.gz MDONDDUAENHROU-IJLUTSLNSA-N 0 3 194.322 2.799 10 30 AFEEHN CC[C@H](CC#N)N1CC[C@H](C)C[C@H]1C 251349430 344852841 /nfs/dbraw/zinc/85/28/41/344852841.db2.gz MDONDDUAENHROU-QJPTWQEYSA-N 0 3 194.322 2.799 10 30 AFEEHN CC[C@H](C)N[C@H]1CCCCC[C@H]1C#N 251384912 344853215 /nfs/dbraw/zinc/85/32/15/344853215.db2.gz UOLBJGRYRZXEDD-SRVKXCTJSA-N 0 3 194.322 2.847 10 30 AFEEHN CC[C@H](CC#N)N1CCC[C@@H](C)[C@H]1C 251393924 344853239 /nfs/dbraw/zinc/85/32/39/344853239.db2.gz XLHSDGWRTDOBPO-IJLUTSLNSA-N 0 3 194.322 2.799 10 30 AFEEHN CCC[C@H](C)CN[C@@H]1CCC[C@H]1C#N 251391430 344853256 /nfs/dbraw/zinc/85/32/56/344853256.db2.gz YDLLTUXLAMDRKG-SDDRHHMPSA-N 0 3 194.322 2.704 10 30 AFEEHN CCC[C@H](C)N[C@@H]1CCCC[C@H]1C#N 251385065 344853270 /nfs/dbraw/zinc/85/32/70/344853270.db2.gz WVQUMCXFVIDZPE-SDDRHHMPSA-N 0 3 194.322 2.847 10 30 AFEEHN CCC[C@H](C)N[C@H]1CCCC[C@H]1C#N 251385068 344853329 /nfs/dbraw/zinc/85/33/29/344853329.db2.gz WVQUMCXFVIDZPE-SRVKXCTJSA-N 0 3 194.322 2.847 10 30 AFEEHN CC[C@H](C)N[C@@H]1CCCCC[C@H]1C#N 251384910 344853349 /nfs/dbraw/zinc/85/33/49/344853349.db2.gz UOLBJGRYRZXEDD-SDDRHHMPSA-N 0 3 194.322 2.847 10 30 AFEEHN CCC[C@H](C)CN[C@H]1CCC[C@H]1C#N 251391433 344853375 /nfs/dbraw/zinc/85/33/75/344853375.db2.gz YDLLTUXLAMDRKG-SRVKXCTJSA-N 0 3 194.322 2.704 10 30 AFEEHN CC[C@H](CC#N)N1CCC[C@H](C)[C@H]1C 251393925 344853384 /nfs/dbraw/zinc/85/33/84/344853384.db2.gz XLHSDGWRTDOBPO-QJPTWQEYSA-N 0 3 194.322 2.799 10 30 AFEEHN CC(C)C[C@H](C)N[C@@H]1CCC[C@H]1C#N 251445851 344854209 /nfs/dbraw/zinc/85/42/09/344854209.db2.gz WISSQWDPXZZJFU-SDDRHHMPSA-N 0 3 194.322 2.703 10 30 AFEEHN CC(C)C[C@H](C)N[C@H]1CCC[C@H]1C#N 251445855 344854254 /nfs/dbraw/zinc/85/42/54/344854254.db2.gz WISSQWDPXZZJFU-SRVKXCTJSA-N 0 3 194.322 2.703 10 30 AFEEHN CC[C@H]1CCCN([C@H](C)CC#N)CC1 251568382 344858504 /nfs/dbraw/zinc/85/85/04/344858504.db2.gz BUFZDQUAVBLXPD-NEPJUHHUSA-N 0 3 194.322 2.801 10 30 AFEEHN CC[C@@H]1CCCN([C@H](C)CC#N)CC1 251568397 344858578 /nfs/dbraw/zinc/85/85/78/344858578.db2.gz BUFZDQUAVBLXPD-VXGBXAGGSA-N 0 3 194.322 2.801 10 30 AFEEHN CC[C@H](C)[C@H](C)N[C@@H]1CCC[C@H]1C#N 251789950 344873278 /nfs/dbraw/zinc/87/32/78/344873278.db2.gz JSIABNRLMOQJNJ-FIQHERPVSA-N 0 3 194.322 2.703 10 30 AFEEHN CC[C@H](C)[C@H](C)N[C@H]1CCC[C@H]1C#N 251789949 344873290 /nfs/dbraw/zinc/87/32/90/344873290.db2.gz JSIABNRLMOQJNJ-BJDJZHNGSA-N 0 3 194.322 2.703 10 30 AFEEHN C[C@H](C#N)CN(C)[C@@H]1CCC[C@H](C)C1 251848079 344876367 /nfs/dbraw/zinc/87/63/67/344876367.db2.gz OTHHTXHIYKQQEU-QJPTWQEYSA-N 0 3 194.322 2.657 10 30 AFEEHN C[C@H](C#N)CN(C)[C@H]1CCC[C@H](C)C1 251848080 344876552 /nfs/dbraw/zinc/87/65/52/344876552.db2.gz OTHHTXHIYKQQEU-TUAOUCFPSA-N 0 3 194.322 2.657 10 30 AFEEHN C[C@H](C#N)CN(C)[C@H]1CCC[C@@H](C)C1 251848081 344876623 /nfs/dbraw/zinc/87/66/23/344876623.db2.gz OTHHTXHIYKQQEU-UTUOFQBUSA-N 0 3 194.322 2.657 10 30 AFEEHN CC[C@H]1CCCN(C[C@H](C)C#N)CC1 251890199 344878696 /nfs/dbraw/zinc/87/86/96/344878696.db2.gz VYSRXZCCBKOZSL-NEPJUHHUSA-N 0 3 194.322 2.658 10 30 AFEEHN CC[C@@H]1CCCN(C[C@H](C)C#N)CC1 251890201 344878822 /nfs/dbraw/zinc/87/88/22/344878822.db2.gz VYSRXZCCBKOZSL-VXGBXAGGSA-N 0 3 194.322 2.658 10 30 AFEEHN C[C@@H]1CCC[C@H](N(C)[C@H](C)CC#N)C1 251898939 344879516 /nfs/dbraw/zinc/87/95/16/344879516.db2.gz SJLRRVNWDPOUJD-UTUOFQBUSA-N 0 3 194.322 2.799 10 30 AFEEHN CC[C@H](C)CN[C@@H]1CCCC[C@H]1C#N 251896576 344879686 /nfs/dbraw/zinc/87/96/86/344879686.db2.gz PLOVMKXHNRSWCU-SDDRHHMPSA-N 0 3 194.322 2.704 10 30 AFEEHN CC[C@H](C)CN[C@H]1CCCC[C@H]1C#N 251896579 344879719 /nfs/dbraw/zinc/87/97/19/344879719.db2.gz PLOVMKXHNRSWCU-SRVKXCTJSA-N 0 3 194.322 2.704 10 30 AFEEHN C[C@H]1C[C@@H](C)C[C@H](N(C)CCC#N)C1 252096974 344884635 /nfs/dbraw/zinc/88/46/35/344884635.db2.gz HXKHMIKNTRUFIF-GDNZZTSVSA-N 0 3 194.322 2.657 10 30 AFEEHN C[C@@H]1CCCC[C@H]1N(C)[C@H](C)CC#N 252104488 344885277 /nfs/dbraw/zinc/88/52/77/344885277.db2.gz GTTZWMYLKGTNGV-IJLUTSLNSA-N 0 3 194.322 2.799 10 30 AFEEHN C[C@@H]1CCCC[C@@H]1N(C)[C@H](C)CC#N 252104489 344885389 /nfs/dbraw/zinc/88/53/89/344885389.db2.gz GTTZWMYLKGTNGV-UTUOFQBUSA-N 0 3 194.322 2.799 10 30 AFEEHN C[C@H](C#N)CN[C@H]1CCC[C@H](C)CC1 252110533 344885783 /nfs/dbraw/zinc/88/57/83/344885783.db2.gz HSAZMYXOSZCJMA-TUAOUCFPSA-N 0 3 194.322 2.704 10 30 AFEEHN C[C@H](C#N)CN[C@@H]1CCC[C@H](C)CC1 252110532 344886152 /nfs/dbraw/zinc/88/61/52/344886152.db2.gz HSAZMYXOSZCJMA-QJPTWQEYSA-N 0 3 194.322 2.704 10 30 AFEEHN C[C@H](CC#N)N[C@@H]1CCCCC[C@H]1C 252218231 344893323 /nfs/dbraw/zinc/89/33/23/344893323.db2.gz YHPIKMNGJXMEDU-IJLUTSLNSA-N 0 3 194.322 2.847 10 30 AFEEHN C[C@H](CC#N)N[C@H]1CCCCC[C@H]1C 252218232 344893482 /nfs/dbraw/zinc/89/34/82/344893482.db2.gz YHPIKMNGJXMEDU-UTUOFQBUSA-N 0 3 194.322 2.847 10 30 AFEEHN CC[C@H](C)CN(C)[C@@H]1CCC[C@H]1C#N 252435123 344895700 /nfs/dbraw/zinc/89/57/00/344895700.db2.gz IDPUWSXJMZIKQF-SDDRHHMPSA-N 0 3 194.322 2.657 10 30 AFEEHN CC[C@H](C)CN(C)[C@H]1CCC[C@@H]1C#N 252435125 344895707 /nfs/dbraw/zinc/89/57/07/344895707.db2.gz IDPUWSXJMZIKQF-TUAOUCFPSA-N 0 3 194.322 2.657 10 30 AFEEHN CC(C)N(C)[C@H]1CCCCC[C@H]1C#N 252433842 344895718 /nfs/dbraw/zinc/89/57/18/344895718.db2.gz DIVNBJXIPDZNSA-RYUDHWBXSA-N 0 3 194.322 2.799 10 30 AFEEHN CC[C@H](C)CN(C)[C@H]1CCC[C@H]1C#N 252435124 344895893 /nfs/dbraw/zinc/89/58/93/344895893.db2.gz IDPUWSXJMZIKQF-SRVKXCTJSA-N 0 3 194.322 2.657 10 30 AFEEHN CC(C)N(C)[C@@H]1CCCCC[C@H]1C#N 252433841 344895943 /nfs/dbraw/zinc/89/59/43/344895943.db2.gz DIVNBJXIPDZNSA-NWDGAFQWSA-N 0 3 194.322 2.799 10 30 AFEEHN CCCN(C)[C@@H]1C[C@H](C)CC[C@H]1C#N 252435671 344895978 /nfs/dbraw/zinc/89/59/78/344895978.db2.gz KPEHBCTVIUKOKE-GRYCIOLGSA-N 0 3 194.322 2.657 10 30 AFEEHN CN(C1CCCC1)[C@@H]1CCC[C@H]1C#N 252435200 344895981 /nfs/dbraw/zinc/89/59/81/344895981.db2.gz IPVRKMRMCILUMH-CMPLNLGQSA-N 0 3 192.306 2.553 10 30 AFEEHN CN(C1CCCC1)[C@H]1CCC[C@H]1C#N 252435201 344896034 /nfs/dbraw/zinc/89/60/34/344896034.db2.gz IPVRKMRMCILUMH-JQWIXIFHSA-N 0 3 192.306 2.553 10 30 AFEEHN CCCN(C)[C@@H]1CCCCC[C@H]1C#N 252433331 344896041 /nfs/dbraw/zinc/89/60/41/344896041.db2.gz CBTMKCITAVKNOV-NWDGAFQWSA-N 0 3 194.322 2.801 10 30 AFEEHN CCCN(C)[C@@H]1C[C@@H](C)CC[C@H]1C#N 252435672 344896072 /nfs/dbraw/zinc/89/60/72/344896072.db2.gz KPEHBCTVIUKOKE-SDDRHHMPSA-N 0 3 194.322 2.657 10 30 AFEEHN CCN(CC)[C@@H]1C[C@H](C)CC[C@H]1C#N 252437629 344896231 /nfs/dbraw/zinc/89/62/31/344896231.db2.gz WVPVOKVMXPYWCA-GRYCIOLGSA-N 0 3 194.322 2.657 10 30 AFEEHN C[C@@H]1CCCCN1[C@@H]1CCC[C@H]1C#N 252437161 344896247 /nfs/dbraw/zinc/89/62/47/344896247.db2.gz UHNAYIIRSJYROW-GRYCIOLGSA-N 0 3 192.306 2.553 10 30 AFEEHN C[C@@H]1CCCCN1[C@H]1CCC[C@H]1C#N 252437163 344896301 /nfs/dbraw/zinc/89/63/01/344896301.db2.gz UHNAYIIRSJYROW-WOPDTQHZSA-N 0 3 192.306 2.553 10 30 AFEEHN CC(C)N(C)[C@H]1C[C@H](C)CC[C@H]1C#N 252437820 344896314 /nfs/dbraw/zinc/89/63/14/344896314.db2.gz XVLXWNASHHPCMO-WOPDTQHZSA-N 0 3 194.322 2.655 10 30 AFEEHN CCCCCN(C)[C@@H]1CCC[C@H]1C#N 252436436 344896349 /nfs/dbraw/zinc/89/63/49/344896349.db2.gz OZYZWMPSTSUNQY-NWDGAFQWSA-N 0 3 194.322 2.801 10 30 AFEEHN CCCCCN(C)[C@H]1CCC[C@H]1C#N 252436437 344896376 /nfs/dbraw/zinc/89/63/76/344896376.db2.gz OZYZWMPSTSUNQY-RYUDHWBXSA-N 0 3 194.322 2.801 10 30 AFEEHN C[C@@H]1CCCCN1[C@H]1CCC[C@@H]1C#N 252437162 344896581 /nfs/dbraw/zinc/89/65/81/344896581.db2.gz UHNAYIIRSJYROW-UTUOFQBUSA-N 0 3 192.306 2.553 10 30 AFEEHN CCN(C(C)C)[C@@H]1CCCC[C@H]1C#N 252437460 344896687 /nfs/dbraw/zinc/89/66/87/344896687.db2.gz VZAAYZUFRZORSW-NWDGAFQWSA-N 0 3 194.322 2.799 10 30 AFEEHN CCN(CC)[C@@H]1C[C@@H](C)CC[C@H]1C#N 252437630 344896721 /nfs/dbraw/zinc/89/67/21/344896721.db2.gz WVPVOKVMXPYWCA-SDDRHHMPSA-N 0 3 194.322 2.657 10 30 AFEEHN CC(C)N(C)[C@H]1C[C@H](C)CC[C@@H]1C#N 252437819 344896728 /nfs/dbraw/zinc/89/67/28/344896728.db2.gz XVLXWNASHHPCMO-UTUOFQBUSA-N 0 3 194.322 2.655 10 30 AFEEHN CCN(C(C)C)[C@H]1CCCC[C@H]1C#N 252437461 344896752 /nfs/dbraw/zinc/89/67/52/344896752.db2.gz VZAAYZUFRZORSW-RYUDHWBXSA-N 0 3 194.322 2.799 10 30 AFEEHN CC[C@H]1CCCCN1[C@H](C)CC#N 252440278 344896932 /nfs/dbraw/zinc/89/69/32/344896932.db2.gz ZJRDSUNZKVGILG-MNOVXSKESA-N 0 3 180.295 2.553 10 30 AFEEHN CC[C@@H]1CCCCN1[C@H](C)CC#N 252440277 344897065 /nfs/dbraw/zinc/89/70/65/344897065.db2.gz ZJRDSUNZKVGILG-GHMZBOCLSA-N 0 3 180.295 2.553 10 30 AFEEHN C=CCC[C@H](C)N[C@H]1CCC[C@H]1C#N 252806757 344914754 /nfs/dbraw/zinc/91/47/54/344914754.db2.gz HQKIMWRXYSVSFC-SRVKXCTJSA-N 0 3 192.306 2.623 10 30 AFEEHN C=CCC[C@H](C)N[C@@H]1CCC[C@H]1C#N 252806756 344914757 /nfs/dbraw/zinc/91/47/57/344914757.db2.gz HQKIMWRXYSVSFC-SDDRHHMPSA-N 0 3 192.306 2.623 10 30 AFEEHN CN(C1CCC1)[C@H]1CCCC[C@H]1C#N 252981970 344923933 /nfs/dbraw/zinc/92/39/33/344923933.db2.gz UFBIDVVFJFNARM-JQWIXIFHSA-N 0 3 192.306 2.553 10 30 AFEEHN CN(C1CCC1)[C@@H]1CCCC[C@H]1C#N 252981969 344924007 /nfs/dbraw/zinc/92/40/07/344924007.db2.gz UFBIDVVFJFNARM-CMPLNLGQSA-N 0 3 192.306 2.553 10 30 AFEEHN C[C@H]1C[C@@H](C)CN([C@H](C)CC#N)[C@@H]1C 253088074 344927053 /nfs/dbraw/zinc/92/70/53/344927053.db2.gz BNQWGIJVZBNYDM-WRWGMCAJSA-N 0 3 194.322 2.655 10 30 AFEEHN C[C@H]1C[C@@H](C)CN([C@@H](C)CC#N)[C@@H]1C 253088073 344927251 /nfs/dbraw/zinc/92/72/51/344927251.db2.gz BNQWGIJVZBNYDM-NOOOWODRSA-N 0 3 194.322 2.655 10 30 AFEEHN C[C@H]1C[C@@H](C)CN([C@H](C)CC#N)[C@H]1C 253088072 344927256 /nfs/dbraw/zinc/92/72/56/344927256.db2.gz BNQWGIJVZBNYDM-KXNHARMFSA-N 0 3 194.322 2.655 10 30 AFEEHN C=C(Cl)CN[C@H]1CC[C@H](C)CC1 253117135 344927785 /nfs/dbraw/zinc/92/77/85/344927785.db2.gz GIZVCLUYISFUDN-CZMCAQCFSA-N 0 3 187.714 2.907 10 30 AFEEHN CC(C)CCN(C)CC1(C#N)CCC1 258807631 344945663 /nfs/dbraw/zinc/94/56/63/344945663.db2.gz BHMUWGZLLOIDSG-UHFFFAOYSA-N 0 3 194.322 2.658 10 30 AFEEHN CN(CCC1CCC1)CC(C)(C)C#N 258877693 344946158 /nfs/dbraw/zinc/94/61/58/344946158.db2.gz HOKYDARHPDPSOL-UHFFFAOYSA-N 0 3 194.322 2.658 10 30 AFEEHN CC(C)CCN(C)CC(C)(C)C#N 258867066 344946566 /nfs/dbraw/zinc/94/65/66/344946566.db2.gz GJYGEMFKOZLHER-UHFFFAOYSA-N 0 3 182.311 2.514 10 30 AFEEHN CN(CC(C)(C)C)CC1(C#N)CCC1 258957623 344946769 /nfs/dbraw/zinc/94/67/69/344946769.db2.gz RJWYIXHMTRWJGQ-UHFFFAOYSA-N 0 3 194.322 2.658 10 30 AFEEHN C[C@H](C#N)[C@@H](C)NC1CCCCCC1 306228732 345121933 /nfs/dbraw/zinc/12/19/33/345121933.db2.gz IGZNYUGMDPBFEU-GHMZBOCLSA-N 0 3 194.322 2.847 10 30 AFEEHN C[C@@H](C#N)[C@@H](C)NC1CCCCCC1 306228736 345121966 /nfs/dbraw/zinc/12/19/66/345121966.db2.gz IGZNYUGMDPBFEU-WDEREUQCSA-N 0 3 194.322 2.847 10 30 AFEEHN C[C@H](NC1CCCCCC1)[C@@H](C)C#N 306228735 345122119 /nfs/dbraw/zinc/12/21/19/345122119.db2.gz IGZNYUGMDPBFEU-QWRGUYRKSA-N 0 3 194.322 2.847 10 30 AFEEHN C[C@H](C#N)[C@H](C)NC1CCCCCC1 306228734 345122200 /nfs/dbraw/zinc/12/22/00/345122200.db2.gz IGZNYUGMDPBFEU-MNOVXSKESA-N 0 3 194.322 2.847 10 30 AFEEHN CC#CC[C@@H](N)c1csc(Cl)c1 306232515 345125815 /nfs/dbraw/zinc/12/58/15/345125815.db2.gz LNSPJKHVCGJWKP-MRVPVSSYSA-N 0 3 199.706 2.815 10 30 AFEEHN C=C[C@@H](NC)c1csc(Cl)c1 306249293 345140822 /nfs/dbraw/zinc/14/08/22/345140822.db2.gz DNEFMLUGFYFIRL-SSDOTTSWSA-N 0 3 187.695 2.848 10 30 AFEEHN C=C[C@H](NC)c1csc(Cl)c1 306249295 345140838 /nfs/dbraw/zinc/14/08/38/345140838.db2.gz DNEFMLUGFYFIRL-ZETCQYMHSA-N 0 3 187.695 2.848 10 30 AFEEHN C=C(C)[C@@H](N)c1csc(Cl)c1 306352345 345225078 /nfs/dbraw/zinc/22/50/78/345225078.db2.gz ZZXCCYCUGQXPCK-MRVPVSSYSA-N 0 3 187.695 2.977 10 30 AFEEHN C=C(C)[C@H](N)c1csc(Cl)c1 306352346 345224982 /nfs/dbraw/zinc/22/49/82/345224982.db2.gz ZZXCCYCUGQXPCK-QMMMGPOBSA-N 0 3 187.695 2.977 10 30 AFEEHN CC(C#N)C(=O)c1csc(Cl)c1 306414840 345273165 /nfs/dbraw/zinc/27/31/65/345273165.db2.gz PCTOZZLPMLCXKU-YFKPBYRVSA-N 0 3 199.662 2.744 10 30 AFEEHN CC(C#N)C(=O)c1csc(Cl)c1 306414839 345273313 /nfs/dbraw/zinc/27/33/13/345273313.db2.gz PCTOZZLPMLCXKU-RXMQYKEDSA-N 0 3 199.662 2.744 10 30 AFEEHN C[C@H](CC#N)N[C@@H]1CCC12CCCC2 306461866 345321609 /nfs/dbraw/zinc/32/16/09/345321609.db2.gz GQOALYURSQSEMT-GHMZBOCLSA-N 0 3 192.306 2.601 10 30 AFEEHN C[C@@H](CC#N)N[C@H]1CCC12CCCC2 306461869 345321688 /nfs/dbraw/zinc/32/16/88/345321688.db2.gz GQOALYURSQSEMT-QWRGUYRKSA-N 0 3 192.306 2.601 10 30 AFEEHN C[C@H](CC#N)N[C@H]1CCC12CCCC2 306461868 345321790 /nfs/dbraw/zinc/32/17/90/345321790.db2.gz GQOALYURSQSEMT-MNOVXSKESA-N 0 3 192.306 2.601 10 30 AFEEHN C[C@@H](CC#N)N[C@@H]1CCC12CCCC2 306461870 345321804 /nfs/dbraw/zinc/32/18/04/345321804.db2.gz GQOALYURSQSEMT-WDEREUQCSA-N 0 3 192.306 2.601 10 30 AFEEHN CC(C)[C@@H](C#N)CN1C[C@H](C)C[C@H]1C 306546912 345421412 /nfs/dbraw/zinc/42/14/12/345421412.db2.gz AVKAEIRIFBIEQX-UTUOFQBUSA-N 0 3 194.322 2.512 10 30 AFEEHN CC(C)[C@H](C#N)CN1C[C@H](C)C[C@@H]1C 306546910 345421461 /nfs/dbraw/zinc/42/14/61/345421461.db2.gz AVKAEIRIFBIEQX-GRYCIOLGSA-N 0 3 194.322 2.512 10 30 AFEEHN CC(C)[C@@H](C#N)CN1C[C@H](C)C[C@@H]1C 306546913 345421514 /nfs/dbraw/zinc/42/15/14/345421514.db2.gz AVKAEIRIFBIEQX-WOPDTQHZSA-N 0 3 194.322 2.512 10 30 AFEEHN CC(C)[C@H](C#N)CN1C[C@H](C)C[C@H]1C 306546911 345421576 /nfs/dbraw/zinc/42/15/76/345421576.db2.gz AVKAEIRIFBIEQX-IJLUTSLNSA-N 0 3 194.322 2.512 10 30 AFEEHN C=C[C@@H](C)N1CCC(F)(F)[C@@H](C)C1 306567968 345444793 /nfs/dbraw/zinc/44/47/93/345444793.db2.gz IRNNPGCFVJPCGG-DTWKUNHWSA-N 0 3 189.249 2.538 10 30 AFEEHN C=C[C@H](C)N1CCC(F)(F)[C@@H](C)C1 306567969 345444839 /nfs/dbraw/zinc/44/48/39/345444839.db2.gz IRNNPGCFVJPCGG-IUCAKERBSA-N 0 3 189.249 2.538 10 30 AFEEHN C=C[C@H](C)N1CCC(F)(F)[C@H](C)C1 306567967 345444856 /nfs/dbraw/zinc/44/48/56/345444856.db2.gz IRNNPGCFVJPCGG-BDAKNGLRSA-N 0 3 189.249 2.538 10 30 AFEEHN C=C[C@@H](C)N1CCC(F)(F)[C@H](C)C1 306567970 345444930 /nfs/dbraw/zinc/44/49/30/345444930.db2.gz IRNNPGCFVJPCGG-RKDXNWHRSA-N 0 3 189.249 2.538 10 30 AFEEHN CC(C#N)C(=O)[C@H]1CC2CCC1CC2 306569581 345446485 /nfs/dbraw/zinc/44/64/85/345446485.db2.gz WYQYGXUTVPSTNO-PMUOWJKOSA-N 0 3 191.274 2.541 10 30 AFEEHN CC(C#N)C(=O)[C@@H]1CC2CCC1CC2 306569579 345446511 /nfs/dbraw/zinc/44/65/11/345446511.db2.gz WYQYGXUTVPSTNO-AGVGLQIMSA-N 0 3 191.274 2.541 10 30 AFEEHN CC(C#N)C(=O)[C@@H]1CC2CCC1CC2 306569580 345446732 /nfs/dbraw/zinc/44/67/32/345446732.db2.gz WYQYGXUTVPSTNO-IDWGSYCQSA-N 0 3 191.274 2.541 10 30 AFEEHN CC(C#N)C(=O)[C@H]1CC2CCC1CC2 306569582 345446754 /nfs/dbraw/zinc/44/67/54/345446754.db2.gz WYQYGXUTVPSTNO-SFXRXQKFSA-N 0 3 191.274 2.541 10 30 AFEEHN C=C(C)C[C@@H](N)c1ccccc1C#N 306581939 345458700 /nfs/dbraw/zinc/45/87/00/345458700.db2.gz OXZBBFKGNWSISX-GFCCVEGCSA-N 0 3 186.258 2.524 10 30 AFEEHN C=C(C)C[C@H](N)c1ccccc1C#N 306581941 345458731 /nfs/dbraw/zinc/45/87/31/345458731.db2.gz OXZBBFKGNWSISX-LBPRGKRZSA-N 0 3 186.258 2.524 10 30 AFEEHN CC(C)[C@H](C#N)CN1CC[C@@H](C)[C@@H]1C 306589466 345466832 /nfs/dbraw/zinc/46/68/32/345466832.db2.gz WZQGELLIIMQAPP-GRYCIOLGSA-N 0 3 194.322 2.512 10 30 AFEEHN CC(C)[C@H](C#N)CN1CC[C@@H](C)[C@H]1C 306589467 345466921 /nfs/dbraw/zinc/46/69/21/345466921.db2.gz WZQGELLIIMQAPP-IJLUTSLNSA-N 0 3 194.322 2.512 10 30 AFEEHN CC(C)[C@H](C#N)CN1CC[C@H](C)[C@H]1C 306589468 345467019 /nfs/dbraw/zinc/46/70/19/345467019.db2.gz WZQGELLIIMQAPP-QJPTWQEYSA-N 0 3 194.322 2.512 10 30 AFEEHN CC(C)[C@H](C#N)CN1CC[C@H](C)[C@@H]1C 306589469 345467190 /nfs/dbraw/zinc/46/71/90/345467190.db2.gz WZQGELLIIMQAPP-SDDRHHMPSA-N 0 3 194.322 2.512 10 30 AFEEHN C=C[C@@H](N)c1csc(C)c1C 306602948 345478444 /nfs/dbraw/zinc/47/84/44/345478444.db2.gz DBRZKLJKEGYQPM-SECBINFHSA-N 0 3 167.277 2.551 10 30 AFEEHN C=C[C@H](N)c1csc(C)c1C 306602949 345478699 /nfs/dbraw/zinc/47/86/99/345478699.db2.gz DBRZKLJKEGYQPM-VIFPVBQESA-N 0 3 167.277 2.551 10 30 AFEEHN C=C1CCCN(Cc2cccs2)C1 306611638 345485452 /nfs/dbraw/zinc/48/54/52/345485452.db2.gz GTQMHCRRASHURZ-UHFFFAOYSA-N 0 3 193.315 2.900 10 30 AFEEHN C=C(C)C[C@H]([NH3+])c1cc(C)ccc1[O-] 306624019 345495749 /nfs/dbraw/zinc/49/57/49/345495749.db2.gz XGYRCRDBZOFATB-NSHDSACASA-N 0 3 191.274 2.667 10 30 AFEEHN C=C(Cl)CN1C[C@H]2CCCC[C@@H]2C1 306637006 345504940 /nfs/dbraw/zinc/50/49/40/345504940.db2.gz AYZSVNOTALNCMX-GHMZBOCLSA-N 0 3 199.725 2.861 10 30 AFEEHN C=C(CC)CN1CCCC[C@H](F)C1 306675164 345537711 /nfs/dbraw/zinc/53/77/11/345537711.db2.gz RZJIPHWCMWJEKY-NSHDSACASA-N 0 3 185.286 2.777 10 30 AFEEHN C=C(CC)CN1CCCC[C@@H](F)C1 306675163 345537723 /nfs/dbraw/zinc/53/77/23/345537723.db2.gz RZJIPHWCMWJEKY-LLVKDONJSA-N 0 3 185.286 2.777 10 30 AFEEHN CC(C)c1ccccc1C#C[C@H](C)N 306703316 345557290 /nfs/dbraw/zinc/55/72/90/345557290.db2.gz GPOALMRVJOEBDA-NSHDSACASA-N 0 3 187.286 2.509 10 30 AFEEHN CC(C)c1ccccc1C#C[C@@H](C)N 306703313 345557562 /nfs/dbraw/zinc/55/75/62/345557562.db2.gz GPOALMRVJOEBDA-LLVKDONJSA-N 0 3 187.286 2.509 10 30 AFEEHN C=C(C)[C@H](N)c1csc(C)c1C 306741298 345586080 /nfs/dbraw/zinc/58/60/80/345586080.db2.gz UNVYHZXXPFHENJ-JTQLQIEISA-N 0 3 181.304 2.941 10 30 AFEEHN C=C(C)[C@@H](N)c1csc(C)c1C 306741299 345586113 /nfs/dbraw/zinc/58/61/13/345586113.db2.gz UNVYHZXXPFHENJ-SNVBAGLBSA-N 0 3 181.304 2.941 10 30 AFEEHN C=C[C@@H](N)c1csc2c1CCCC2 306741954 345586164 /nfs/dbraw/zinc/58/61/64/345586164.db2.gz VIDWDJKNEFPKFO-SNVBAGLBSA-N 0 3 193.315 2.813 10 30 AFEEHN C=C[C@H](N)c1csc2c1CCCC2 306741948 345586445 /nfs/dbraw/zinc/58/64/45/345586445.db2.gz VIDWDJKNEFPKFO-JTQLQIEISA-N 0 3 193.315 2.813 10 30 AFEEHN CC#CC[C@@H](N)c1csc(C)c1C 306793223 345619133 /nfs/dbraw/zinc/61/91/33/345619133.db2.gz GSBQQARYBCTAFM-LLVKDONJSA-N 0 3 193.315 2.778 10 30 AFEEHN CC#CC[C@H](N)c1csc(C)c1C 306793225 345619289 /nfs/dbraw/zinc/61/92/89/345619289.db2.gz GSBQQARYBCTAFM-NSHDSACASA-N 0 3 193.315 2.778 10 30 AFEEHN C=C(C)C[C@@H]([NH3+])c1cccc(C)c1[O-] 306801181 345623889 /nfs/dbraw/zinc/62/38/89/345623889.db2.gz QSUZXJZJMWZJCJ-LLVKDONJSA-N 0 3 191.274 2.667 10 30 AFEEHN C=C(C)C[C@H]([NH3+])c1cccc(C)c1[O-] 306801182 345623910 /nfs/dbraw/zinc/62/39/10/345623910.db2.gz QSUZXJZJMWZJCJ-NSHDSACASA-N 0 3 191.274 2.667 10 30 AFEEHN C=C(C)C[C@H](N)c1cccnc1Cl 306829107 345643125 /nfs/dbraw/zinc/64/31/25/345643125.db2.gz GXMIKOYMVSARTR-VIFPVBQESA-N 0 3 196.681 2.701 10 30 AFEEHN CC(C#N)C(=O)[C@@H]1CCC[C@@H](C)C1 306859289 345662796 /nfs/dbraw/zinc/66/27/96/345662796.db2.gz BNPZFSVDGJBIJS-KXUCPTDWSA-N 0 3 179.263 2.541 10 30 AFEEHN CC(C#N)C(=O)[C@H]1CCC[C@@H](C)C1 306859292 345662931 /nfs/dbraw/zinc/66/29/31/345662931.db2.gz BNPZFSVDGJBIJS-UTLUCORTSA-N 0 3 179.263 2.541 10 30 AFEEHN C=C(C)C[C@@H]([NH3+])c1cc(C)ccc1[O-] 306892172 345688271 /nfs/dbraw/zinc/68/82/71/345688271.db2.gz XGYRCRDBZOFATB-LLVKDONJSA-N 0 3 191.274 2.667 10 30 AFEEHN C=C(C)C[C@H]([NH3+])c1ccc(C)cc1[O-] 306976749 345729601 /nfs/dbraw/zinc/72/96/01/345729601.db2.gz DLJZCOWEEDGZAE-NSHDSACASA-N 0 3 191.274 2.667 10 30 AFEEHN C#Cc1ccc([C@@H](C)NC)c(Cl)c1 307013811 345752643 /nfs/dbraw/zinc/75/26/43/345752643.db2.gz MBIURDZQXUFXOB-MRVPVSSYSA-N 0 3 193.677 2.602 10 30 AFEEHN C#Cc1ccc([C@H](C)NC)c(Cl)c1 307013812 345752823 /nfs/dbraw/zinc/75/28/23/345752823.db2.gz MBIURDZQXUFXOB-QMMMGPOBSA-N 0 3 193.677 2.602 10 30 AFEEHN C=C(C)C[C@@H](N)c1cc(C)c(C)o1 307013332 345752934 /nfs/dbraw/zinc/75/29/34/345752934.db2.gz NOROGMPCBWNSLP-SNVBAGLBSA-N 0 3 179.263 2.862 10 30 AFEEHN C=C(C)[C@@H](N)c1csc(C)c1 307032424 345767341 /nfs/dbraw/zinc/76/73/41/345767341.db2.gz KYVBMWWNFNZOAO-SECBINFHSA-N 0 3 167.277 2.632 10 30 AFEEHN C=C(C)[C@H](N)c1csc(C)c1 307032425 345767365 /nfs/dbraw/zinc/76/73/65/345767365.db2.gz KYVBMWWNFNZOAO-VIFPVBQESA-N 0 3 167.277 2.632 10 30 AFEEHN C=C(C)[C@H](NC)c1ccc(C)c(C)n1 307037511 345769884 /nfs/dbraw/zinc/76/98/84/345769884.db2.gz YYQNPRYIPVWFCA-LBPRGKRZSA-N 0 3 190.290 2.535 10 30 AFEEHN C=C1CCN(CC=C2CCC2)CC1 307146612 345840310 /nfs/dbraw/zinc/84/03/10/345840310.db2.gz HGTMWENCWHHGDV-UHFFFAOYSA-N 0 3 177.291 2.749 10 30 AFEEHN C#C[C@@H](NC1(C)CC1)c1ccccc1 307175389 345865979 /nfs/dbraw/zinc/86/59/79/345865979.db2.gz FZBGNQXZXNRKHY-GFCCVEGCSA-N 0 3 185.270 2.503 10 30 AFEEHN C#C[C@H](NC1(C)CC1)c1ccccc1 307175391 345865989 /nfs/dbraw/zinc/86/59/89/345865989.db2.gz FZBGNQXZXNRKHY-LBPRGKRZSA-N 0 3 185.270 2.503 10 30 AFEEHN C#CC[C@H](N)c1cc(F)ccc1Cl 307179030 345868927 /nfs/dbraw/zinc/86/89/27/345868927.db2.gz HTINWRBUOZEETB-JTQLQIEISA-N 0 3 197.640 2.502 10 30 AFEEHN C#CC[C@@H](N)c1cc(F)ccc1Cl 307179032 345869158 /nfs/dbraw/zinc/86/91/58/345869158.db2.gz HTINWRBUOZEETB-SNVBAGLBSA-N 0 3 197.640 2.502 10 30 AFEEHN CC#CCC[C@H](N)c1sccc1F 307227736 345905351 /nfs/dbraw/zinc/90/53/51/345905351.db2.gz FPUWBTCVTNLFPQ-VIFPVBQESA-N 0 3 197.278 2.691 10 30 AFEEHN CC#CCC[C@@H](N)c1sccc1F 307227735 345905502 /nfs/dbraw/zinc/90/55/02/345905502.db2.gz FPUWBTCVTNLFPQ-SECBINFHSA-N 0 3 197.278 2.691 10 30 AFEEHN C=C[C@H](NC)c1csc(C)c1 307287466 345948769 /nfs/dbraw/zinc/94/87/69/345948769.db2.gz UTGFMCRKDRQTQA-VIFPVBQESA-N 0 3 167.277 2.503 10 30 AFEEHN C=C[C@@H](NC)c1csc(C)c1 307287465 345948865 /nfs/dbraw/zinc/94/88/65/345948865.db2.gz UTGFMCRKDRQTQA-SECBINFHSA-N 0 3 167.277 2.503 10 30 AFEEHN C=C(C)[C@H](N)c1cc(C)cs1 307292467 345951395 /nfs/dbraw/zinc/95/13/95/345951395.db2.gz BOMXXHSOSINGTH-VIFPVBQESA-N 0 3 167.277 2.632 10 30 AFEEHN C=C(C)[C@@H](N)c1cc(C)cs1 307292450 345951420 /nfs/dbraw/zinc/95/14/20/345951420.db2.gz BOMXXHSOSINGTH-SECBINFHSA-N 0 3 167.277 2.632 10 30 AFEEHN C=C[C@H](NC)c1cc(C)cs1 307296542 345953525 /nfs/dbraw/zinc/95/35/25/345953525.db2.gz QYENDJMCBYVYLC-QMMMGPOBSA-N 0 3 167.277 2.503 10 30 AFEEHN C=C[C@@H](NC)c1cc(C)cs1 307296540 345953565 /nfs/dbraw/zinc/95/35/65/345953565.db2.gz QYENDJMCBYVYLC-MRVPVSSYSA-N 0 3 167.277 2.503 10 30 AFEEHN C=C(C)C[C@@H]([NH3+])c1ccc(C)cc1[O-] 307406371 346023042 /nfs/dbraw/zinc/02/30/42/346023042.db2.gz DLJZCOWEEDGZAE-LLVKDONJSA-N 0 3 191.274 2.667 10 30 AFEEHN CC[C@H](CC#N)N1C[C@@H](C)CC1(C)C 307533273 346095944 /nfs/dbraw/zinc/09/59/44/346095944.db2.gz NEURHXQVDIDLKT-WDEREUQCSA-N 0 3 194.322 2.799 10 30 AFEEHN CC[C@@H](CC#N)N1C[C@H](C)CC1(C)C 307533261 346095981 /nfs/dbraw/zinc/09/59/81/346095981.db2.gz NEURHXQVDIDLKT-MNOVXSKESA-N 0 3 194.322 2.799 10 30 AFEEHN CC[C@@H](CC#N)N1C[C@@H](C)CC1(C)C 307533267 346096029 /nfs/dbraw/zinc/09/60/29/346096029.db2.gz NEURHXQVDIDLKT-QWRGUYRKSA-N 0 3 194.322 2.799 10 30 AFEEHN CC[C@H](CC#N)N1C[C@H](C)CC1(C)C 307533255 346096091 /nfs/dbraw/zinc/09/60/91/346096091.db2.gz NEURHXQVDIDLKT-GHMZBOCLSA-N 0 3 194.322 2.799 10 30 AFEEHN C#C[C@H](N)c1ccc2sccc2c1 307548476 346105628 /nfs/dbraw/zinc/10/56/28/346105628.db2.gz OHRVVSYEAMRGQW-JTQLQIEISA-N 0 3 187.267 2.534 10 30 AFEEHN C#C[C@@H](N)c1ccc2sccc2c1 307548477 346105651 /nfs/dbraw/zinc/10/56/51/346105651.db2.gz OHRVVSYEAMRGQW-SNVBAGLBSA-N 0 3 187.267 2.534 10 30 AFEEHN C=C(C)[C@@H](N)c1cccc(F)c1C 307551712 346107747 /nfs/dbraw/zinc/10/77/47/346107747.db2.gz ZHRGKLFZYPJDSB-LLVKDONJSA-N 0 3 179.238 2.710 10 30 AFEEHN C=C(C)[C@H](N)c1cccc(F)c1C 307551714 346107840 /nfs/dbraw/zinc/10/78/40/346107840.db2.gz ZHRGKLFZYPJDSB-NSHDSACASA-N 0 3 179.238 2.710 10 30 AFEEHN C=CCCN(CC)CCC(F)(F)F 308462336 346305350 /nfs/dbraw/zinc/30/53/50/346305350.db2.gz HXXNAPCHCWLVNJ-UHFFFAOYSA-N 0 3 195.228 2.837 10 30 AFEEHN C[C@@H](CCC(C)(C)C)NC[C@@H](C)C#N 308489498 346307107 /nfs/dbraw/zinc/30/71/07/346307107.db2.gz QBBUXGSYSLPHBO-QWRGUYRKSA-N 0 3 196.338 2.950 10 30 AFEEHN C[C@H](C#N)CN[C@@H](C)CCC(C)(C)C 308489496 346307255 /nfs/dbraw/zinc/30/72/55/346307255.db2.gz QBBUXGSYSLPHBO-MNOVXSKESA-N 0 3 196.338 2.950 10 30 AFEEHN C[C@@H](C#N)CN[C@H](C)CCC(C)(C)C 308489499 346307393 /nfs/dbraw/zinc/30/73/93/346307393.db2.gz QBBUXGSYSLPHBO-WDEREUQCSA-N 0 3 196.338 2.950 10 30 AFEEHN C[C@H](C#N)CN[C@H](C)CCC(C)(C)C 308489495 346307548 /nfs/dbraw/zinc/30/75/48/346307548.db2.gz QBBUXGSYSLPHBO-GHMZBOCLSA-N 0 3 196.338 2.950 10 30 AFEEHN C[C@H](NCC(C)(C)C#N)[C@H]1CC1(C)C 308573895 346312754 /nfs/dbraw/zinc/31/27/54/346312754.db2.gz LQKYMIRUZXIJEV-VHSXEESVSA-N 0 3 194.322 2.560 10 30 AFEEHN C[C@@H](NCC(C)(C)C#N)[C@H]1CC1(C)C 308573893 346312891 /nfs/dbraw/zinc/31/28/91/346312891.db2.gz LQKYMIRUZXIJEV-NXEZZACHSA-N 0 3 194.322 2.560 10 30 AFEEHN C[C@H](NCC(C)(C)C#N)[C@@H]1CC1(C)C 308573894 346313154 /nfs/dbraw/zinc/31/31/54/346313154.db2.gz LQKYMIRUZXIJEV-UWVGGRQHSA-N 0 3 194.322 2.560 10 30 AFEEHN C[C@@H](NCC(C)(C)C#N)[C@@H]1CC1(C)C 308573896 346313170 /nfs/dbraw/zinc/31/31/70/346313170.db2.gz LQKYMIRUZXIJEV-ZJUUUORDSA-N 0 3 194.322 2.560 10 30 AFEEHN CC[C@H](CC#N)N[C@H](CC)[C@H]1C[C@@H]1C 321164926 346322603 /nfs/dbraw/zinc/32/26/03/346322603.db2.gz XVYBALGKNJFOAO-WHOHXGKFSA-N 0 3 194.322 2.703 10 30 AFEEHN CC[C@H](CC#N)N[C@H](CC)[C@@H]1C[C@H]1C 321164924 346322728 /nfs/dbraw/zinc/32/27/28/346322728.db2.gz XVYBALGKNJFOAO-DDHJBXDOSA-N 0 3 194.322 2.703 10 30 AFEEHN CC[C@H](CC#N)N[C@H](CC)[C@@H]1C[C@@H]1C 321164925 346322747 /nfs/dbraw/zinc/32/27/47/346322747.db2.gz XVYBALGKNJFOAO-IRCOFANPSA-N 0 3 194.322 2.703 10 30 AFEEHN CC[C@H](CC#N)N[C@H](CC)[C@H]1C[C@H]1C 321164927 346322829 /nfs/dbraw/zinc/32/28/29/346322829.db2.gz XVYBALGKNJFOAO-WISYIIOYSA-N 0 3 194.322 2.703 10 30 AFEEHN C[C@H](CC#N)NCCC(C)(C)C1CC1 328302322 346325431 /nfs/dbraw/zinc/32/54/31/346325431.db2.gz BYHSKKGLOZOHFF-SNVBAGLBSA-N 0 3 194.322 2.704 10 30 AFEEHN C[C@@H](CC#N)NCCC(C)(C)C1CC1 328302321 346325565 /nfs/dbraw/zinc/32/55/65/346325565.db2.gz BYHSKKGLOZOHFF-JTQLQIEISA-N 0 3 194.322 2.704 10 30 AFEEHN C=CCN(C)Cc1ccc(Cl)cc1 379398198 346516005 /nfs/dbraw/zinc/51/60/05/346516005.db2.gz FLKLWNMDUUJZOD-UHFFFAOYSA-N 0 3 195.693 2.958 10 30 AFEEHN C=CCN(C)Cc1cccc(C)c1 379399983 346516385 /nfs/dbraw/zinc/51/63/85/346516385.db2.gz HYJICOHYZQIGEL-UHFFFAOYSA-N 0 3 175.275 2.613 10 30 AFEEHN C=CCCCN[C@@H]1CCCC[C@H]1C#N 379515832 346524320 /nfs/dbraw/zinc/52/43/20/346524320.db2.gz XYSDRKRYQTXLKS-NWDGAFQWSA-N 0 3 192.306 2.625 10 30 AFEEHN C=CCCCN[C@@H]1CCCC[C@@H]1C#N 379515834 346524338 /nfs/dbraw/zinc/52/43/38/346524338.db2.gz XYSDRKRYQTXLKS-VXGBXAGGSA-N 0 3 192.306 2.625 10 30 AFEEHN C=CCCCCN[C@H]1CCC[C@@H]1C#N 379498955 346524343 /nfs/dbraw/zinc/52/43/43/346524343.db2.gz GRNIKRFKSUMHPH-NEPJUHHUSA-N 0 3 192.306 2.625 10 30 AFEEHN C=CCCCN[C@H]1CCCC[C@H]1C#N 379515833 346524360 /nfs/dbraw/zinc/52/43/60/346524360.db2.gz XYSDRKRYQTXLKS-RYUDHWBXSA-N 0 3 192.306 2.625 10 30 AFEEHN C=CCCCCN[C@@H]1CCC[C@@H]1C#N 379498961 346524374 /nfs/dbraw/zinc/52/43/74/346524374.db2.gz GRNIKRFKSUMHPH-VXGBXAGGSA-N 0 3 192.306 2.625 10 30 AFEEHN C=CCCCCN[C@@H]1CCC[C@H]1C#N 379498956 346524394 /nfs/dbraw/zinc/52/43/94/346524394.db2.gz GRNIKRFKSUMHPH-NWDGAFQWSA-N 0 3 192.306 2.625 10 30 AFEEHN C=CCCCCN[C@H]1CCC[C@H]1C#N 379498957 346524416 /nfs/dbraw/zinc/52/44/16/346524416.db2.gz GRNIKRFKSUMHPH-RYUDHWBXSA-N 0 3 192.306 2.625 10 30 AFEEHN C=CCCCN[C@H]1CCCC[C@@H]1C#N 379515831 346524430 /nfs/dbraw/zinc/52/44/30/346524430.db2.gz XYSDRKRYQTXLKS-NEPJUHHUSA-N 0 3 192.306 2.625 10 30 AFEEHN C=C(C)CCN[C@@H]1CCCC[C@H]1C#N 387358135 346545089 /nfs/dbraw/zinc/54/50/89/346545089.db2.gz GXISBFMCXHHQKI-NWDGAFQWSA-N 0 3 192.306 2.625 10 30 AFEEHN C=C(C)CCN[C@H]1CCCC[C@@H]1C#N 387358127 346545482 /nfs/dbraw/zinc/54/54/82/346545482.db2.gz GXISBFMCXHHQKI-NEPJUHHUSA-N 0 3 192.306 2.625 10 30 AFEEHN C=C(C)CCN[C@@H]1CCCC[C@@H]1C#N 387358139 346545447 /nfs/dbraw/zinc/54/54/47/346545447.db2.gz GXISBFMCXHHQKI-VXGBXAGGSA-N 0 3 192.306 2.625 10 30 AFEEHN C=C(C)CCN[C@H]1CCCC[C@H]1C#N 387358137 346545455 /nfs/dbraw/zinc/54/54/55/346545455.db2.gz GXISBFMCXHHQKI-RYUDHWBXSA-N 0 3 192.306 2.625 10 30 AFEEHN CC[C@H](C)CN(C)CC(C)(C)C#N 388202511 346548152 /nfs/dbraw/zinc/54/81/52/346548152.db2.gz BPKIHVYVSBPCFA-JTQLQIEISA-N 0 3 182.311 2.514 10 30 AFEEHN CC[C@@H](C)CN(C)CC(C)(C)C#N 388202525 346548234 /nfs/dbraw/zinc/54/82/34/346548234.db2.gz BPKIHVYVSBPCFA-SNVBAGLBSA-N 0 3 182.311 2.514 10 30 AFEEHN C=CCN(C)Cc1sccc1C 388489177 346557234 /nfs/dbraw/zinc/55/72/34/346557234.db2.gz FQNGPWMHQKUPKV-UHFFFAOYSA-N 0 3 181.304 2.674 10 30 AFEEHN CCN(C[C@H](C)C#N)[C@@H](C)C(C)C 388613592 346560464 /nfs/dbraw/zinc/56/04/64/346560464.db2.gz ZVRLAUHRWJIWOO-MNOVXSKESA-N 0 3 182.311 2.512 10 30 AFEEHN CCN(C[C@H](C)C#N)[C@H](C)C(C)C 388613590 346560553 /nfs/dbraw/zinc/56/05/53/346560553.db2.gz ZVRLAUHRWJIWOO-GHMZBOCLSA-N 0 3 182.311 2.512 10 30 AFEEHN CCN(C[C@@H](C)C#N)[C@@H](C)C(C)C 388613593 346560919 /nfs/dbraw/zinc/56/09/19/346560919.db2.gz ZVRLAUHRWJIWOO-QWRGUYRKSA-N 0 3 182.311 2.512 10 30 AFEEHN CCN(C[C@@H](C)C#N)[C@H](C)C(C)C 388613595 346561021 /nfs/dbraw/zinc/56/10/21/346561021.db2.gz ZVRLAUHRWJIWOO-WDEREUQCSA-N 0 3 182.311 2.512 10 30 AFEEHN CC(C)[C@@H](C)N(C)CC(C)(C)C#N 388770091 346566380 /nfs/dbraw/zinc/56/63/80/346566380.db2.gz GLXUBEILXBEATD-SNVBAGLBSA-N 0 3 182.311 2.512 10 30 AFEEHN CC(C)[C@H](C)N(C)CC(C)(C)C#N 388770087 346566356 /nfs/dbraw/zinc/56/63/56/346566356.db2.gz GLXUBEILXBEATD-JTQLQIEISA-N 0 3 182.311 2.512 10 30 AFEEHN CC[C@H](CC#N)N[C@@H](C)[C@@H]1CC1(C)C 389344063 346572148 /nfs/dbraw/zinc/57/21/48/346572148.db2.gz ZHAPRLRANVNJPV-AXFHLTTASA-N 0 3 194.322 2.703 10 30 AFEEHN CC[C@H](CC#N)N[C@H](C)[C@H]1CC1(C)C 389344066 346572275 /nfs/dbraw/zinc/57/22/75/346572275.db2.gz ZHAPRLRANVNJPV-GMTAPVOTSA-N 0 3 194.322 2.703 10 30 AFEEHN CC[C@H](CC#N)N[C@@H](C)[C@H]1CC1(C)C 389344068 346572467 /nfs/dbraw/zinc/57/24/67/346572467.db2.gz ZHAPRLRANVNJPV-HBNTYKKESA-N 0 3 194.322 2.703 10 30 AFEEHN C=CCCN(C)Cc1ccsc1 393322304 346575016 /nfs/dbraw/zinc/57/50/16/346575016.db2.gz DUDRMBISZFXFGF-UHFFFAOYSA-N 0 3 181.304 2.756 10 30 AFEEHN CCC[C@H](C)N(C)CC(C)(C)C#N 393562667 346578713 /nfs/dbraw/zinc/57/87/13/346578713.db2.gz ARDGLMCCAZSQEB-JTQLQIEISA-N 0 3 182.311 2.657 10 30 AFEEHN CC(C)=CCCN[C@H]1CCC[C@H]1C#N 397722685 346592936 /nfs/dbraw/zinc/59/29/36/346592936.db2.gz XCSDMRDIWIAYQI-RYUDHWBXSA-N 0 3 192.306 2.625 10 30 AFEEHN CC(C)=CCCN[C@@H]1CCC[C@H]1C#N 397722684 346593021 /nfs/dbraw/zinc/59/30/21/346593021.db2.gz XCSDMRDIWIAYQI-NWDGAFQWSA-N 0 3 192.306 2.625 10 30 AFEEHN CC(C)=CCCN[C@@H]1CCC[C@@H]1C#N 397722687 346593115 /nfs/dbraw/zinc/59/31/15/346593115.db2.gz XCSDMRDIWIAYQI-VXGBXAGGSA-N 0 3 192.306 2.625 10 30 AFEEHN CC(C)=CCCN[C@H]1CCC[C@@H]1C#N 397722682 346593158 /nfs/dbraw/zinc/59/31/58/346593158.db2.gz XCSDMRDIWIAYQI-NEPJUHHUSA-N 0 3 192.306 2.625 10 30 AFEEHN CC[C@H]1CCCC[C@@H]1CNCCC#N 401621970 346613634 /nfs/dbraw/zinc/61/36/34/346613634.db2.gz RUJNAQFKKPSKJW-NWDGAFQWSA-N 0 3 194.322 2.706 10 30 AFEEHN CC[C@@H]1CCCC[C@@H]1CNCCC#N 401621972 346613827 /nfs/dbraw/zinc/61/38/27/346613827.db2.gz RUJNAQFKKPSKJW-VXGBXAGGSA-N 0 3 194.322 2.706 10 30 AFEEHN CC[C@H]1CCCC[C@H]1CNCCC#N 401621971 346613836 /nfs/dbraw/zinc/61/38/36/346613836.db2.gz RUJNAQFKKPSKJW-RYUDHWBXSA-N 0 3 194.322 2.706 10 30 AFEEHN CC[C@@H]1CCCC[C@H]1CNCCC#N 401621969 346613939 /nfs/dbraw/zinc/61/39/39/346613939.db2.gz RUJNAQFKKPSKJW-NEPJUHHUSA-N 0 3 194.322 2.706 10 30 AFEEHN CC(C)C[C@H](C)N(C)CC(C)(C)C#N 405069238 346656569 /nfs/dbraw/zinc/65/65/69/346656569.db2.gz CXLJVDYHKIDYJK-NSHDSACASA-N 0 3 196.338 2.903 10 30 AFEEHN CC(C)C[C@@H](C)N(C)CC(C)(C)C#N 405069236 346656780 /nfs/dbraw/zinc/65/67/80/346656780.db2.gz CXLJVDYHKIDYJK-LLVKDONJSA-N 0 3 196.338 2.903 10 30 AFEEHN CC[C@H](C)CNCC1(C#N)CCCC1 405082991 346657107 /nfs/dbraw/zinc/65/71/07/346657107.db2.gz BHFFCPPDFUURBU-NSHDSACASA-N 0 3 194.322 2.706 10 30 AFEEHN N#CC1(CNC2CCCC2)CCCC1 405085777 346657148 /nfs/dbraw/zinc/65/71/48/346657148.db2.gz CSKSYSMWWZXMTD-UHFFFAOYSA-N 0 3 192.306 2.603 10 30 AFEEHN CC(C)C1(CNCC(C)(C)C#N)CC1 405084273 346657151 /nfs/dbraw/zinc/65/71/51/346657151.db2.gz CDDWBQHYDCRPBS-UHFFFAOYSA-N 0 3 194.322 2.562 10 30 AFEEHN CC(C)[C@H](C)NCC1(C#N)CCCC1 405092289 346657187 /nfs/dbraw/zinc/65/71/87/346657187.db2.gz HIOYUECIGWECMH-NSHDSACASA-N 0 3 194.322 2.704 10 30 AFEEHN CCC(CC)NCC1(C#N)CCCC1 405114298 346657671 /nfs/dbraw/zinc/65/76/71/346657671.db2.gz VJPGZPPDLTWZPO-UHFFFAOYSA-N 0 3 194.322 2.849 10 30 AFEEHN CC(C)(C)CNCC1(C#N)CCCC1 405098031 346657758 /nfs/dbraw/zinc/65/77/58/346657758.db2.gz KOJOPNSCUXUASJ-UHFFFAOYSA-N 0 3 194.322 2.706 10 30 AFEEHN C=CC/N=C(\C)c1ccc(C)cc1 584610118 346726383 /nfs/dbraw/zinc/72/63/83/346726383.db2.gz JHNNZQNIURNQTK-ACCUITESSA-N 0 3 173.259 2.990 10 30 AFEEHN C=CC/N=C(/C)c1ccccc1C 584611545 346728022 /nfs/dbraw/zinc/72/80/22/346728022.db2.gz IAEZAUUVBHJBAB-QBFSEMIESA-N 0 3 173.259 2.990 10 30 AFEEHN C=C(C)CN(CC)Cc1ccoc1 588169187 346765998 /nfs/dbraw/zinc/76/59/98/346765998.db2.gz DLYQUHQCHUAHAN-UHFFFAOYSA-N 0 3 179.263 2.678 10 30 AFEEHN C=CCCCCN(CC)C[C@@H](C)C#N 590689804 346788006 /nfs/dbraw/zinc/78/80/06/346788006.db2.gz HSGDLYMWPWXOJA-LBPRGKRZSA-N 0 3 194.322 2.824 10 30 AFEEHN C=CCCCCN(CC)C[C@H](C)C#N 590689803 346788183 /nfs/dbraw/zinc/78/81/83/346788183.db2.gz HSGDLYMWPWXOJA-GFCCVEGCSA-N 0 3 194.322 2.824 10 30 AFEEHN C=CCCCCSCCN(C)C 590726694 346789609 /nfs/dbraw/zinc/78/96/09/346789609.db2.gz CSAHISFCMMJNCY-UHFFFAOYSA-N 0 3 187.352 2.638 10 30 AFEEHN C=CCCCCN(C)CC(C)(C)C#N 590743088 346792207 /nfs/dbraw/zinc/79/22/07/346792207.db2.gz GHPVJNYCOCZUQD-UHFFFAOYSA-N 0 3 194.322 2.824 10 30 AFEEHN CCC[C@H](C)CNCC1(C#N)CCC1 591357726 346811383 /nfs/dbraw/zinc/81/13/83/346811383.db2.gz FERHBUCWIJRSAU-NSHDSACASA-N 0 3 194.322 2.706 10 30 AFEEHN CCC[C@@H](C)CNCC1(C#N)CCC1 591357725 346811515 /nfs/dbraw/zinc/81/15/15/346811515.db2.gz FERHBUCWIJRSAU-LLVKDONJSA-N 0 3 194.322 2.706 10 30 AFEEHN CC1CCC(C)(CNCCC#N)CC1 591764048 346821087 /nfs/dbraw/zinc/82/10/87/346821087.db2.gz XSQFZPVIFFGPIB-UHFFFAOYSA-N 0 3 194.322 2.706 10 30 AFEEHN N#CCCN1CCCC[C@@H]1C1CCC1 592197119 346828036 /nfs/dbraw/zinc/82/80/36/346828036.db2.gz BHADBIDTHZUXPK-GFCCVEGCSA-N 0 3 192.306 2.555 10 30 AFEEHN N#CCCN1CCCC[C@H]1C1CCC1 592197155 346828223 /nfs/dbraw/zinc/82/82/23/346828223.db2.gz BHADBIDTHZUXPK-LBPRGKRZSA-N 0 3 192.306 2.555 10 30 AFEEHN CC[C@]1(C)CCC[C@@H]1NC[C@H](C)C#N 593614587 346840917 /nfs/dbraw/zinc/84/09/17/346840917.db2.gz FJJICEZXBAXNQH-GRYCIOLGSA-N 0 3 194.322 2.704 10 30 AFEEHN CC[C@]1(C)CCC[C@H]1NC[C@@H](C)C#N 593614589 346841121 /nfs/dbraw/zinc/84/11/21/346841121.db2.gz FJJICEZXBAXNQH-QJPTWQEYSA-N 0 3 194.322 2.704 10 30 AFEEHN CC[C@]1(C)CCC[C@@H]1NC[C@@H](C)C#N 593614590 346841160 /nfs/dbraw/zinc/84/11/60/346841160.db2.gz FJJICEZXBAXNQH-SDDRHHMPSA-N 0 3 194.322 2.704 10 30 AFEEHN C[C@H]1CC(CNCCC#N)C[C@H](C)C1 594716857 346850484 /nfs/dbraw/zinc/85/04/84/346850484.db2.gz YBMOXHIOAOIZGS-GHMZBOCLSA-N 0 3 194.322 2.562 10 30 AFEEHN C[C@@H]1CC(CNCCC#N)C[C@@H](C)C1 594716858 346850701 /nfs/dbraw/zinc/85/07/01/346850701.db2.gz YBMOXHIOAOIZGS-QWRGUYRKSA-N 0 3 194.322 2.562 10 30 AFEEHN C[C@H]1C[C@@H](C)C[C@H](CNCCC#N)C1 594716856 346850798 /nfs/dbraw/zinc/85/07/98/346850798.db2.gz YBMOXHIOAOIZGS-GDNZZTSVSA-N 0 3 194.322 2.562 10 30 AFEEHN CC(C)CNCC1(C#N)CCCCC1 594994801 346856660 /nfs/dbraw/zinc/85/66/60/346856660.db2.gz MAGYJNKCQOOZSD-UHFFFAOYSA-N 0 3 194.322 2.706 10 30 AFEEHN CC[C@@H](C)NCC1(C#N)CCCCC1 595097913 346857393 /nfs/dbraw/zinc/85/73/93/346857393.db2.gz NEBXTCWMEXVIIE-LLVKDONJSA-N 0 3 194.322 2.849 10 30 AFEEHN CC[C@H](C)NCC1(C#N)CCCCC1 595097914 346857454 /nfs/dbraw/zinc/85/74/54/346857454.db2.gz NEBXTCWMEXVIIE-NSHDSACASA-N 0 3 194.322 2.849 10 30 AFEEHN CCC(C)(C)[C@H](C)NCC1(C#N)CC1 595641399 346860957 /nfs/dbraw/zinc/86/09/57/346860957.db2.gz KXCIHMNFDWIMCM-JTQLQIEISA-N 0 3 194.322 2.704 10 30 AFEEHN C=CC[C@@H]1CCCC[C@@H]1NCCC#N 595602246 346861078 /nfs/dbraw/zinc/86/10/78/346861078.db2.gz HYIZMEJBOUSYAD-NEPJUHHUSA-N 0 3 192.306 2.625 10 30 AFEEHN C=CC[C@H]1CCCC[C@H]1NCCC#N 595602260 346861125 /nfs/dbraw/zinc/86/11/25/346861125.db2.gz HYIZMEJBOUSYAD-NWDGAFQWSA-N 0 3 192.306 2.625 10 30 AFEEHN C=CC[C@H]1CCCC[C@@H]1NCCC#N 595602263 346861386 /nfs/dbraw/zinc/86/13/86/346861386.db2.gz HYIZMEJBOUSYAD-RYUDHWBXSA-N 0 3 192.306 2.625 10 30 AFEEHN C=CC[C@@H]1CCCC[C@H]1NCCC#N 595602265 346861411 /nfs/dbraw/zinc/86/14/11/346861411.db2.gz HYIZMEJBOUSYAD-VXGBXAGGSA-N 0 3 192.306 2.625 10 30 AFEEHN CCC(C)(C)[C@@H](C)NCC1(C#N)CC1 595641400 346861431 /nfs/dbraw/zinc/86/14/31/346861431.db2.gz KXCIHMNFDWIMCM-SNVBAGLBSA-N 0 3 194.322 2.704 10 30 AFEEHN CC(C)C[C@H](C)N1CC[C@@](C)(C#N)C1 595841302 346867979 /nfs/dbraw/zinc/86/79/79/346867979.db2.gz KDSFULJGJGKAQN-RYUDHWBXSA-N 0 3 194.322 2.657 10 30 AFEEHN CC(C)C[C@H](C)N1CC[C@](C)(C#N)C1 595841300 346868074 /nfs/dbraw/zinc/86/80/74/346868074.db2.gz KDSFULJGJGKAQN-NWDGAFQWSA-N 0 3 194.322 2.657 10 30 AFEEHN CC(C)(C)CCN1CC[C@@](C)(C#N)C1 595840209 346868165 /nfs/dbraw/zinc/86/81/65/346868165.db2.gz OXZVQOCQRAFFCV-LBPRGKRZSA-N 0 3 194.322 2.658 10 30 AFEEHN CCC(CC)CN1CC[C@](C)(C#N)C1 595841283 346868222 /nfs/dbraw/zinc/86/82/22/346868222.db2.gz JWSNAJTZTRGKLR-GFCCVEGCSA-N 0 3 194.322 2.658 10 30 AFEEHN CC(C)C[C@@H](C)N1CC[C@](C)(C#N)C1 595841303 346868322 /nfs/dbraw/zinc/86/83/22/346868322.db2.gz KDSFULJGJGKAQN-VXGBXAGGSA-N 0 3 194.322 2.657 10 30 AFEEHN CCC(CC)CN1CC[C@@](C)(C#N)C1 595841284 346868468 /nfs/dbraw/zinc/86/84/68/346868468.db2.gz JWSNAJTZTRGKLR-LBPRGKRZSA-N 0 3 194.322 2.658 10 30 AFEEHN CC(C)C[C@@H](C)N1CC[C@@](C)(C#N)C1 595841299 346868490 /nfs/dbraw/zinc/86/84/90/346868490.db2.gz KDSFULJGJGKAQN-NEPJUHHUSA-N 0 3 194.322 2.657 10 30 AFEEHN CC(C)(C)CCN1CC[C@](C)(C#N)C1 595840208 346868535 /nfs/dbraw/zinc/86/85/35/346868535.db2.gz OXZVQOCQRAFFCV-GFCCVEGCSA-N 0 3 194.322 2.658 10 30 AFEEHN CC(C)CCCN1CC[C@@](C)(C#N)C1 595842683 346869067 /nfs/dbraw/zinc/86/90/67/346869067.db2.gz GSILGTNOHXKCEN-LBPRGKRZSA-N 0 3 194.322 2.658 10 30 AFEEHN CC(C)CCCN1CC[C@](C)(C#N)C1 595842682 346869187 /nfs/dbraw/zinc/86/91/87/346869187.db2.gz GSILGTNOHXKCEN-GFCCVEGCSA-N 0 3 194.322 2.658 10 30 AFEEHN C=CCCCCN1CC[C@@](C)(C#N)C1 595842463 346869255 /nfs/dbraw/zinc/86/92/55/346869255.db2.gz RLSXIYHRUXUNLE-LBPRGKRZSA-N 0 3 192.306 2.578 10 30 AFEEHN C=CCCCCN1CC[C@](C)(C#N)C1 595842462 346869348 /nfs/dbraw/zinc/86/93/48/346869348.db2.gz RLSXIYHRUXUNLE-GFCCVEGCSA-N 0 3 192.306 2.578 10 30 AFEEHN CC[C@@H](CC#N)N[C@H]1CCCC12CC2 597086901 346883214 /nfs/dbraw/zinc/88/32/14/346883214.db2.gz ODSBQTNVDPXDAF-QWRGUYRKSA-N 0 3 192.306 2.601 10 30 AFEEHN CC[C@@H](CC#N)N[C@@H]1CCCC12CC2 597086902 346883376 /nfs/dbraw/zinc/88/33/76/346883376.db2.gz ODSBQTNVDPXDAF-WDEREUQCSA-N 0 3 192.306 2.601 10 30 AFEEHN CC[C@H](CC#N)N[C@H]1CCCC12CC2 597086900 346883507 /nfs/dbraw/zinc/88/35/07/346883507.db2.gz ODSBQTNVDPXDAF-MNOVXSKESA-N 0 3 192.306 2.601 10 30 AFEEHN CC[C@H](CC#N)N[C@@H]1CCCC12CC2 597086899 346883661 /nfs/dbraw/zinc/88/36/61/346883661.db2.gz ODSBQTNVDPXDAF-GHMZBOCLSA-N 0 3 192.306 2.601 10 30 AFEEHN CC(C)C[C@H](C)CN1CC(CC#N)C1 597202780 346884699 /nfs/dbraw/zinc/88/46/99/346884699.db2.gz CAZDHJCABVYLOQ-NSHDSACASA-N 0 3 194.322 2.514 10 30 AFEEHN CC(C)C[C@@H](C)CN1CC(CC#N)C1 597202774 346884742 /nfs/dbraw/zinc/88/47/42/346884742.db2.gz CAZDHJCABVYLOQ-LLVKDONJSA-N 0 3 194.322 2.514 10 30 AFEEHN C[C@@H](CN1CC(CC#N)C1)C(C)(C)C 597202800 346884800 /nfs/dbraw/zinc/88/48/00/346884800.db2.gz CNSDADRNEHOITB-JTQLQIEISA-N 0 3 194.322 2.514 10 30 AFEEHN C[C@H](CN1CC(CC#N)C1)C(C)(C)C 597202802 346884923 /nfs/dbraw/zinc/88/49/23/346884923.db2.gz CNSDADRNEHOITB-SNVBAGLBSA-N 0 3 194.322 2.514 10 30 AFEEHN CCC[C@@H](C)CN1CC[C@](C)(C#N)C1 597231851 346885344 /nfs/dbraw/zinc/88/53/44/346885344.db2.gz PAISCVVEJOPBEP-VXGBXAGGSA-N 0 3 194.322 2.658 10 30 AFEEHN CCC[C@H](C)CN1CC[C@@](C)(C#N)C1 597231848 346885414 /nfs/dbraw/zinc/88/54/14/346885414.db2.gz PAISCVVEJOPBEP-RYUDHWBXSA-N 0 3 194.322 2.658 10 30 AFEEHN CCC[C@H](C)CN1CC[C@](C)(C#N)C1 597231847 346885518 /nfs/dbraw/zinc/88/55/18/346885518.db2.gz PAISCVVEJOPBEP-NWDGAFQWSA-N 0 3 194.322 2.658 10 30 AFEEHN CCC[C@@H](C)CN1CC[C@@](C)(C#N)C1 597231841 346885543 /nfs/dbraw/zinc/88/55/43/346885543.db2.gz PAISCVVEJOPBEP-NEPJUHHUSA-N 0 3 194.322 2.658 10 30 AFEEHN C=C(C)CN1CC[C@H](c2ccco2)C1 600683328 346915727 /nfs/dbraw/zinc/91/57/27/346915727.db2.gz BYHAMNXBEMLFQB-NSHDSACASA-N 0 3 191.274 2.645 10 30 AFEEHN CC1(C)CCC[C@H]1CCNCCC#N 600746372 346916500 /nfs/dbraw/zinc/91/65/00/346916500.db2.gz SEJWROOMWGNGDE-NSHDSACASA-N 0 3 194.322 2.706 10 30 AFEEHN CC1(C)CCC[C@@H]1CCNCCC#N 600746371 346916540 /nfs/dbraw/zinc/91/65/40/346916540.db2.gz SEJWROOMWGNGDE-LLVKDONJSA-N 0 3 194.322 2.706 10 30 AFEEHN CCC(C)(C)CCN[C@@H](C)CC#N 601232810 346922957 /nfs/dbraw/zinc/92/29/57/346922957.db2.gz KLEGGAWHMWGDNU-JTQLQIEISA-N 0 3 182.311 2.704 10 30 AFEEHN CCC(C)(C)CCN[C@H](C)CC#N 601232815 346923432 /nfs/dbraw/zinc/92/34/32/346923432.db2.gz KLEGGAWHMWGDNU-SNVBAGLBSA-N 0 3 182.311 2.704 10 30 AFEEHN C=CCCCN(C)[C@H]1CCC[C@@H]1C#N 602977566 346949097 /nfs/dbraw/zinc/94/90/97/346949097.db2.gz DAPLAIDMDZLMKE-NEPJUHHUSA-N 0 3 192.306 2.577 10 30 AFEEHN C=CCCCN(C)[C@@H]1CCC[C@@H]1C#N 602977569 346949109 /nfs/dbraw/zinc/94/91/09/346949109.db2.gz DAPLAIDMDZLMKE-VXGBXAGGSA-N 0 3 192.306 2.577 10 30 AFEEHN C=CCCCN(C)[C@@H]1CCC[C@H]1C#N 602977567 346949149 /nfs/dbraw/zinc/94/91/49/346949149.db2.gz DAPLAIDMDZLMKE-NWDGAFQWSA-N 0 3 192.306 2.577 10 30 AFEEHN C=CCCCN(C)[C@H]1CCC[C@H]1C#N 602977568 346949155 /nfs/dbraw/zinc/94/91/55/346949155.db2.gz DAPLAIDMDZLMKE-RYUDHWBXSA-N 0 3 192.306 2.577 10 30 AFEEHN CC(C)(C)C[C@H]1CCCN1CCC#N 604508743 346964186 /nfs/dbraw/zinc/96/41/86/346964186.db2.gz SSYXLKGYDYZPLZ-LLVKDONJSA-N 0 3 194.322 2.801 10 30 AFEEHN C=CCCCN(C)Cc1ccoc1C 605150043 346968546 /nfs/dbraw/zinc/96/85/46/346968546.db2.gz HVZVTTHRYXRJOY-UHFFFAOYSA-N 0 3 193.290 2.986 10 30 AFEEHN C=CCCN(C)Cc1ccccc1F 606896265 346984940 /nfs/dbraw/zinc/98/49/40/346984940.db2.gz BWQBGLRAGCINPO-UHFFFAOYSA-N 0 3 193.265 2.834 10 30 AFEEHN CC#CCN(CCC(C)C)C1CC1 607723992 346991480 /nfs/dbraw/zinc/99/14/80/346991480.db2.gz BJCPDEJJUBWOAC-UHFFFAOYSA-N 0 3 179.307 2.520 10 30 AFEEHN CC#CCN(C)[C@@H]1CCc2ccccc21 607724029 346991788 /nfs/dbraw/zinc/99/17/88/346991788.db2.gz LXHWKQBJLWEMNS-CQSZACIVSA-N 0 3 199.297 2.629 10 30 AFEEHN CC#CCN(C)[C@H]1CCc2ccccc21 607724028 346991920 /nfs/dbraw/zinc/99/19/20/346991920.db2.gz LXHWKQBJLWEMNS-AWEZNQCLSA-N 0 3 199.297 2.629 10 30 AFEEHN CC#CCN1CCC(C(C)(C)C)CC1 607734873 346994594 /nfs/dbraw/zinc/99/45/94/346994594.db2.gz VMYZXBDZDMMZSC-UHFFFAOYSA-N 0 3 193.334 2.768 10 30 AFEEHN C=C(C)CN1CCS[C@@H](C(C)C)C1 608509966 347009833 /nfs/dbraw/zinc/00/98/33/347009833.db2.gz GXIGSFVXWJHUSP-LLVKDONJSA-N 0 3 199.363 2.636 10 30 AFEEHN C=C(C)CN1CCS[C@H](C(C)C)C1 608509967 347010062 /nfs/dbraw/zinc/01/00/62/347010062.db2.gz GXIGSFVXWJHUSP-NSHDSACASA-N 0 3 199.363 2.636 10 30 AFEEHN C=CCCN(CCC#N)CCC(C)C 610392371 347024600 /nfs/dbraw/zinc/02/46/00/347024600.db2.gz FWJJBPAAGUJCFV-UHFFFAOYSA-N 0 3 194.322 2.824 10 30 AFEEHN CCC(C)(C)[C@H]1CCCN1CCC#N 611003868 347033513 /nfs/dbraw/zinc/03/35/13/347033513.db2.gz RTNTWXCTIGWNRU-LLVKDONJSA-N 0 3 194.322 2.801 10 30 AFEEHN CCC(C)(C)[C@@H]1CCCN1CCC#N 611003869 347033922 /nfs/dbraw/zinc/03/39/22/347033922.db2.gz RTNTWXCTIGWNRU-NSHDSACASA-N 0 3 194.322 2.801 10 30 AFEEHN C=CCCC[C@@H](C)N(C)C[C@H](C)C#N 611371380 347037643 /nfs/dbraw/zinc/03/76/43/347037643.db2.gz PEKVPPGOFPRZQK-VXGBXAGGSA-N 0 3 194.322 2.823 10 30 AFEEHN C=CCCC[C@H](C)N(C)C[C@H](C)C#N 611371377 347037798 /nfs/dbraw/zinc/03/77/98/347037798.db2.gz PEKVPPGOFPRZQK-NEPJUHHUSA-N 0 3 194.322 2.823 10 30 AFEEHN C=CCCC[C@H](C)N(C)C[C@@H](C)C#N 611371379 347037850 /nfs/dbraw/zinc/03/78/50/347037850.db2.gz PEKVPPGOFPRZQK-RYUDHWBXSA-N 0 3 194.322 2.823 10 30 AFEEHN C=CCCC[C@@H](C)N(CC)CCC#N 611370919 347037904 /nfs/dbraw/zinc/03/79/04/347037904.db2.gz CZBYWSZBIZDRBF-GFCCVEGCSA-N 0 3 194.322 2.967 10 30 AFEEHN C=CCCC[C@@H](C)N(C)C[C@@H](C)C#N 611371378 347037916 /nfs/dbraw/zinc/03/79/16/347037916.db2.gz PEKVPPGOFPRZQK-NWDGAFQWSA-N 0 3 194.322 2.823 10 30 AFEEHN C=CCCC[C@H](C)N(CC)CCC#N 611370920 347037934 /nfs/dbraw/zinc/03/79/34/347037934.db2.gz CZBYWSZBIZDRBF-LBPRGKRZSA-N 0 3 194.322 2.967 10 30 AFEEHN CC(C)N(CC1(C#N)CC1)C1CCC1 611430676 347038910 /nfs/dbraw/zinc/03/89/10/347038910.db2.gz AQMDNAIHBFCWAA-UHFFFAOYSA-N 0 3 192.306 2.553 10 30 AFEEHN C=CCCCN1CCC[C@@](C)(C#N)C1 612157728 347045318 /nfs/dbraw/zinc/04/53/18/347045318.db2.gz ASPQHSFYPFUBHI-LBPRGKRZSA-N 0 3 192.306 2.578 10 30 AFEEHN C=CCCCN1CCC[C@](C)(C#N)C1 612157727 347045367 /nfs/dbraw/zinc/04/53/67/347045367.db2.gz ASPQHSFYPFUBHI-GFCCVEGCSA-N 0 3 192.306 2.578 10 30 AFEEHN C=C(C)CCN1CCC[C@](C)(C#N)C1 614183701 347068392 /nfs/dbraw/zinc/06/83/92/347068392.db2.gz BNVOZIPYWHNFHF-GFCCVEGCSA-N 0 3 192.306 2.578 10 30 AFEEHN C=C(C)CCN1CCC[C@@](C)(C#N)C1 614183703 347068477 /nfs/dbraw/zinc/06/84/77/347068477.db2.gz BNVOZIPYWHNFHF-LBPRGKRZSA-N 0 3 192.306 2.578 10 30 AFEEHN C=CC(C)(C)CCNCc1ccco1 623592620 347258548 /nfs/dbraw/zinc/25/85/48/347258548.db2.gz UQQBWNVSLOAERX-UHFFFAOYSA-N 0 3 193.290 2.972 10 30 AFEEHN C=CCN(C)Cc1csc(C)c1C 639067300 347500662 /nfs/dbraw/zinc/50/06/62/347500662.db2.gz IIWUKBMKPVQUGI-UHFFFAOYSA-N 0 3 195.331 2.983 10 30 AFEEHN C=C(C)CN(CC)Cc1ccco1 642342871 347593910 /nfs/dbraw/zinc/59/39/10/347593910.db2.gz BEPTXWXQHIRCTN-UHFFFAOYSA-N 0 3 179.263 2.678 10 30 AFEEHN CCC(C#N)C(=O)c1ccc(C)s1 36915988 351460922 /nfs/dbraw/zinc/46/09/22/351460922.db2.gz JXYOXKSLPODWSM-QMMMGPOBSA-N 0 3 193.271 2.789 10 30 AFEEHN CCC(C#N)C(=O)C1CCCCC1 36916090 351461138 /nfs/dbraw/zinc/46/11/38/351461138.db2.gz MDRDYDNKXZGBFN-VIFPVBQESA-N 0 3 179.263 2.686 10 30 AFEEHN C[C@@H]1CCCCN1[C@@H]1CCC[C@@H]1C#N 37145703 351463690 /nfs/dbraw/zinc/46/36/90/351463690.db2.gz UHNAYIIRSJYROW-IJLUTSLNSA-N 0 3 192.306 2.553 10 30 AFEEHN CC[C@@H](C)c1ccc(C#CCN)cc1 37471021 351468961 /nfs/dbraw/zinc/46/89/61/351468961.db2.gz GPODRMZQSNBHPP-LLVKDONJSA-N 0 3 187.286 2.510 10 30 AFEEHN CC(C)CCN(C)[C@@H]1CCC[C@@H]1C#N 42457076 351522758 /nfs/dbraw/zinc/52/27/58/351522758.db2.gz HCMDNZYTBIUJCT-VXGBXAGGSA-N 0 3 194.322 2.657 10 30 AFEEHN CC(C)CCN(C)[C@H]1CCC[C@@H]1C#N 42457078 351522871 /nfs/dbraw/zinc/52/28/71/351522871.db2.gz HCMDNZYTBIUJCT-NEPJUHHUSA-N 0 3 194.322 2.657 10 30 AFEEHN CC(C)CN[C@H]1CCCCC[C@@H]1C#N 54822860 351574726 /nfs/dbraw/zinc/57/47/26/351574726.db2.gz VJSDIAQNPXOGAX-NEPJUHHUSA-N 0 3 194.322 2.704 10 30 AFEEHN CC(C)CN[C@@H]1CCCCC[C@H]1C#N 54822861 351574926 /nfs/dbraw/zinc/57/49/26/351574926.db2.gz VJSDIAQNPXOGAX-NWDGAFQWSA-N 0 3 194.322 2.704 10 30 AFEEHN CC(C)CN[C@@H]1CCCCC[C@@H]1C#N 54822859 351575045 /nfs/dbraw/zinc/57/50/45/351575045.db2.gz VJSDIAQNPXOGAX-VXGBXAGGSA-N 0 3 194.322 2.704 10 30 AFEEHN CC(C)CN[C@H]1CCCCC[C@H]1C#N 54822862 351575430 /nfs/dbraw/zinc/57/54/30/351575430.db2.gz VJSDIAQNPXOGAX-RYUDHWBXSA-N 0 3 194.322 2.704 10 30 AFEEHN CC(C)CCN[C@@H]1CCCC[C@@H]1C#N 54823609 351576121 /nfs/dbraw/zinc/57/61/21/351576121.db2.gz WAWCBXNGSXVVBP-VXGBXAGGSA-N 0 3 194.322 2.704 10 30 AFEEHN CC(C)CCN[C@@H]1CCCC[C@H]1C#N 54823611 351576444 /nfs/dbraw/zinc/57/64/44/351576444.db2.gz WAWCBXNGSXVVBP-NWDGAFQWSA-N 0 3 194.322 2.704 10 30 AFEEHN CC(C)CCN[C@H]1CCCC[C@H]1C#N 54823612 351576528 /nfs/dbraw/zinc/57/65/28/351576528.db2.gz WAWCBXNGSXVVBP-RYUDHWBXSA-N 0 3 194.322 2.704 10 30 AFEEHN CC(C)CCN[C@H]1CCCC[C@@H]1C#N 54823610 351576613 /nfs/dbraw/zinc/57/66/13/351576613.db2.gz WAWCBXNGSXVVBP-NEPJUHHUSA-N 0 3 194.322 2.704 10 30 AFEEHN CC[C@H]1CCCCCN1CCC#N 108293390 351720944 /nfs/dbraw/zinc/72/09/44/351720944.db2.gz IAPDNARRFYJSTA-NSHDSACASA-N 0 3 180.295 2.555 10 30 AFEEHN CC[C@@H]1CCCCCN1CCC#N 108293388 351721055 /nfs/dbraw/zinc/72/10/55/351721055.db2.gz IAPDNARRFYJSTA-LLVKDONJSA-N 0 3 180.295 2.555 10 30 AFEEHN CC(C)=CCN1CCC(C)(C#N)CC1 227351095 351802679 /nfs/dbraw/zinc/80/26/79/351802679.db2.gz JPMJXIOBLGGQPA-UHFFFAOYSA-N 0 3 192.306 2.578 10 30 AFEEHN C=C(CC)CN1CCC(C)(C#N)CC1 227353092 351803199 /nfs/dbraw/zinc/80/31/99/351803199.db2.gz MXZCLYDBPDQHQV-UHFFFAOYSA-N 0 3 192.306 2.578 10 30 AFEEHN CC1CCN(C[C@@H](C#N)C(C)C)CC1 258645017 351865583 /nfs/dbraw/zinc/86/55/83/351865583.db2.gz MDVSHASXJBEVOE-GFCCVEGCSA-N 0 3 194.322 2.514 10 30 AFEEHN CC1CCN(C[C@H](C#N)C(C)C)CC1 258645022 351865661 /nfs/dbraw/zinc/86/56/61/351865661.db2.gz MDVSHASXJBEVOE-LBPRGKRZSA-N 0 3 194.322 2.514 10 30 AFEEHN N#CC1(CN2CCCCCC2)CCC1 258725684 351866324 /nfs/dbraw/zinc/86/63/24/351866324.db2.gz UPKBJIZARNBVOK-UHFFFAOYSA-N 0 3 192.306 2.556 10 30 AFEEHN CC(C)C[C@@H](N)c1ccccc1C#N 260731031 351886137 /nfs/dbraw/zinc/88/61/37/351886137.db2.gz OAMWKJGPGIKBDC-GFCCVEGCSA-N 0 3 188.274 2.604 10 30 AFEEHN CC(C)C[C@H](N)c1ccccc1C#N 260731033 351886178 /nfs/dbraw/zinc/88/61/78/351886178.db2.gz OAMWKJGPGIKBDC-LBPRGKRZSA-N 0 3 188.274 2.604 10 30 AFEEHN C=CCN1CCC[C@H]1c1ccco1 306750707 351961596 /nfs/dbraw/zinc/96/15/96/351961596.db2.gz HCYNSUUZMZJUGW-JTQLQIEISA-N 0 3 177.247 2.603 10 30 AFEEHN C=CCN1CCC[C@@H]1c1ccco1 306750708 351961672 /nfs/dbraw/zinc/96/16/72/351961672.db2.gz HCYNSUUZMZJUGW-SNVBAGLBSA-N 0 3 177.247 2.603 10 30 AFEEHN C=C(C)CCN1Cc2ccccc2C1 334283618 352061891 /nfs/dbraw/zinc/06/18/91/352061891.db2.gz VIBLLWCCYFLUCK-UHFFFAOYSA-N 0 3 187.286 2.968 10 30 AFEEHN CC1=CCCN(CCC(C)(C)C#N)C1 335023103 352087915 /nfs/dbraw/zinc/08/79/15/352087915.db2.gz FZMDDKYOEPEIDN-UHFFFAOYSA-N 0 3 192.306 2.578 10 30 AFEEHN C=CC1CCN(Cc2ccco2)CC1 335742543 352110925 /nfs/dbraw/zinc/11/09/25/352110925.db2.gz IFNQBLRYVCEWPD-UHFFFAOYSA-N 0 3 191.274 2.678 10 30 AFEEHN CN(CC1(C#N)CC1)C1(C)CCCC1 336091257 352125488 /nfs/dbraw/zinc/12/54/88/352125488.db2.gz ARBIYBUUYWLXIX-UHFFFAOYSA-N 0 3 192.306 2.555 10 30 AFEEHN CC(C)(C#N)CCN1CCC12CCC2 336355891 352138588 /nfs/dbraw/zinc/13/85/88/352138588.db2.gz LDRZQPAFWBIION-UHFFFAOYSA-N 0 3 192.306 2.555 10 30 AFEEHN C=C(C)CN1CCC(C(F)F)CC1 336554030 352147859 /nfs/dbraw/zinc/14/78/59/352147859.db2.gz FEAOLDIDMYMKNY-UHFFFAOYSA-N 0 3 189.249 2.540 10 30 AFEEHN CC[C@@H](CC#N)NCC1CC(C)(C)C1 528518286 352179875 /nfs/dbraw/zinc/17/98/75/352179875.db2.gz GUWPYNXPWRGSEL-NSHDSACASA-N 0 3 194.322 2.704 10 30 AFEEHN C=C(Cl)C[C@@H]1NCc2ccccc21 575539778 352601504 /nfs/dbraw/zinc/60/15/04/352601504.db2.gz DFEQXCRGXBETKX-NSHDSACASA-N 0 3 193.677 2.974 10 30 AFEEHN C=C(Cl)C[C@H]1NCc2ccccc21 575539777 352601528 /nfs/dbraw/zinc/60/15/28/352601528.db2.gz DFEQXCRGXBETKX-LLVKDONJSA-N 0 3 193.677 2.974 10 30 AFEEHN C=C(Cl)C[C@@H](N)c1cccs1 575558807 352670134 /nfs/dbraw/zinc/67/01/34/352670134.db2.gz SUECFNHNXAZTOD-SSDOTTSWSA-N 0 3 187.695 2.891 10 30 AFEEHN C=C(Cl)C[C@H](N)c1cccs1 575558819 352670169 /nfs/dbraw/zinc/67/01/69/352670169.db2.gz SUECFNHNXAZTOD-ZETCQYMHSA-N 0 3 187.695 2.891 10 30 AFEEHN C=C(Cl)CN[C@]1(C)CC1(C)C 575563836 352692800 /nfs/dbraw/zinc/69/28/00/352692800.db2.gz WTNCSTPMAHGFKL-SECBINFHSA-N 0 3 173.687 2.517 10 30 AFEEHN C=C(Cl)CN[C@@]1(C)CC1(C)C 575563838 352692913 /nfs/dbraw/zinc/69/29/13/352692913.db2.gz WTNCSTPMAHGFKL-VIFPVBQESA-N 0 3 173.687 2.517 10 30 AFEEHN C=CCN1C(=C(C)C)OC[C@@H]1C(C)C 584658843 352909752 /nfs/dbraw/zinc/90/97/52/352909752.db2.gz LPEJKGKLUKZITM-LLVKDONJSA-N 0 3 195.306 2.781 10 30 AFEEHN CCC[C@@H](C)CN(C)CC(C)(C)C#N 590373288 352913481 /nfs/dbraw/zinc/91/34/81/352913481.db2.gz TXFBMQADGWNPBT-LLVKDONJSA-N 0 3 196.338 2.904 10 30 AFEEHN CCC[C@H](C)CN(C)CC(C)(C)C#N 590373289 352913649 /nfs/dbraw/zinc/91/36/49/352913649.db2.gz TXFBMQADGWNPBT-NSHDSACASA-N 0 3 196.338 2.904 10 30 AFEEHN C=C1CCN(CCSC(C)C)CC1 619779376 352933082 /nfs/dbraw/zinc/93/30/82/352933082.db2.gz DACQRAPBMYPBDE-UHFFFAOYSA-N 0 3 199.363 2.780 10 30 AFEEHN C=CC/N=C(\C)c1ccccc1C 196366452 371694624 /nfs/dbraw/zinc/69/46/24/371694624.db2.gz IAEZAUUVBHJBAB-ACCUITESSA-N 0 3 173.259 2.990 10 30 AFEEHN C=CCCN1Cc2ccccc2C1 307206144 371776416 /nfs/dbraw/zinc/77/64/16/371776416.db2.gz HHJKKEQEESXKPS-UHFFFAOYSA-N 0 3 173.259 2.578 10 30 AFEEHN CC[C@@H](C)CN(C[C@H](C)C#N)C1CC1 611091238 371863958 /nfs/dbraw/zinc/86/39/58/371863958.db2.gz HDFQZNVDEYEBQA-GHMZBOCLSA-N 0 3 194.322 2.657 10 30 AFEEHN CC[C@H](C)CN(C[C@@H](C)C#N)C1CC1 611091240 371864229 /nfs/dbraw/zinc/86/42/29/371864229.db2.gz HDFQZNVDEYEBQA-QWRGUYRKSA-N 0 3 194.322 2.657 10 30 AFEEHN CC[C@H](C)CN(C[C@H](C)C#N)C1CC1 611091241 371864258 /nfs/dbraw/zinc/86/42/58/371864258.db2.gz HDFQZNVDEYEBQA-WDEREUQCSA-N 0 3 194.322 2.657 10 30 AFEEHN CC[C@@H](C)CN(C[C@@H](C)C#N)C1CC1 611091239 371864319 /nfs/dbraw/zinc/86/43/19/371864319.db2.gz HDFQZNVDEYEBQA-MNOVXSKESA-N 0 3 194.322 2.657 10 30 AFEEHN C=C(C)CCN(C)Cc1occc1C 644780692 371906420 /nfs/dbraw/zinc/90/64/20/371906420.db2.gz FWEWQZQSJKJVAJ-UHFFFAOYSA-N 0 3 193.290 2.986 10 30 AFEEHN C=CCN(CC=C)CC1=CCCC1 645775925 371965768 /nfs/dbraw/zinc/96/57/68/371965768.db2.gz GPARBVOMHSDJOO-UHFFFAOYSA-N 0 3 177.291 2.771 10 30 AFEEHN C=CCN(CC1=CCCC1)C1CC1 645845443 371969011 /nfs/dbraw/zinc/96/90/11/371969011.db2.gz DWHXWWYAIVJKON-UHFFFAOYSA-N 0 3 177.291 2.747 10 30 AFEEHN C=CCNC1(c2ccccc2C)CC1 645978849 371973810 /nfs/dbraw/zinc/97/38/10/371973810.db2.gz APPCFEBJOUPUMZ-UHFFFAOYSA-N 0 3 187.286 2.760 10 30 AFEEHN C=CCNCc1csc(C)c1C 400011723 375501010 /nfs/dbraw/zinc/50/10/10/375501010.db2.gz XRHIMACEFGAVIP-UHFFFAOYSA-N 0 3 181.304 2.641 10 30 AFEEHN C=CC[C@H](CC)NCc1ccns1 404468839 375534201 /nfs/dbraw/zinc/53/42/01/375534201.db2.gz ZEKWPACQQLINFW-VIFPVBQESA-N 0 3 196.319 2.587 10 30 AFEEHN C=CC[C@@H](CC)NCc1ccns1 404468837 375534304 /nfs/dbraw/zinc/53/43/04/375534304.db2.gz ZEKWPACQQLINFW-SECBINFHSA-N 0 3 196.319 2.587 10 30 AFEEHN C=CCCCCNCc1ccns1 404498287 375535462 /nfs/dbraw/zinc/53/54/62/375535462.db2.gz UJQMNZCVQVYVDW-UHFFFAOYSA-N 0 3 196.319 2.589 10 30 AFEEHN C=CCN(C)[C@@H]1CCc2ccccc21 16051427 409314325 /nfs/dbraw/zinc/31/43/25/409314325.db2.gz DIPPPHJBKHAQCZ-CYBMUJFWSA-N 0 3 187.286 2.792 10 30 AFEEHN CC#CCN(C)CCC(C)(C)C1CC1 653708264 409375330 /nfs/dbraw/zinc/37/53/30/409375330.db2.gz UAHUMGILXDWUMC-UHFFFAOYSA-N 0 3 193.334 2.768 10 30 AFEEHN C=CCOc1cc(C)nc(C)c1C 655677589 409412964 /nfs/dbraw/zinc/41/29/64/409412964.db2.gz KRKCZXUTDDZUEO-UHFFFAOYSA-N 0 3 177.247 2.572 10 30 AFEEHN C=C(C)COc1cc(C)nc(C)c1C 655677579 409413606 /nfs/dbraw/zinc/41/36/06/409413606.db2.gz IPCDISQNQJBDSU-UHFFFAOYSA-N 0 3 191.274 2.962 10 30 AFEEHN C=CCCOc1cc(C)nc(C)c1C 655677510 409413788 /nfs/dbraw/zinc/41/37/88/409413788.db2.gz QKVZDGALAFQOEX-UHFFFAOYSA-N 0 3 191.274 2.962 10 30 AFEEHN C=CCCC(C)(C)NCc1cocn1 657805562 409495487 /nfs/dbraw/zinc/49/54/87/409495487.db2.gz QXNUGLOHMMXPRN-UHFFFAOYSA-N 0 3 194.278 2.509 10 30 AFEEHN C=CCN(C)[C@@H]1C[C@@H]1c1ccccc1 660329904 409596472 /nfs/dbraw/zinc/59/64/72/409596472.db2.gz ZYOZFHDFNMMLKB-CHWSQXEVSA-N 0 3 187.286 2.660 10 30 AFEEHN C=CCN1CCC(c2ccco2)CC1 661164596 409633221 /nfs/dbraw/zinc/63/32/21/409633221.db2.gz YIYKJVMOHJOIDK-UHFFFAOYSA-N 0 3 191.274 2.645 10 30 AFEEHN CC#CCN1CCC(C2CCC2)CC1 661374701 409637447 /nfs/dbraw/zinc/63/74/47/409637447.db2.gz OLIUPRSRLVQTOO-UHFFFAOYSA-N 0 3 191.318 2.522 10 30 AFEEHN C=CCN1CC2CC1(c1ccccc1)C2 662333992 409719950 /nfs/dbraw/zinc/71/99/50/409719950.db2.gz IGRPOUZEJBNVNE-UHFFFAOYSA-N 0 3 199.297 2.794 10 30 AFEEHN CC#CCN(C)CCC1CCCC1 393462209 409983915 /nfs/dbraw/zinc/98/39/15/409983915.db2.gz GQHJIEOKACQCHV-UHFFFAOYSA-N 0 3 179.307 2.522 10 30 AFEEHN C=C(C)CCN(C)[C@@H]1CCC[C@H]1C#N 602979886 410134105 /nfs/dbraw/zinc/13/41/05/410134105.db2.gz IXAAIVPONQTXRL-NWDGAFQWSA-N 0 3 192.306 2.577 10 30 AFEEHN C=C(C)CCN(C)[C@H]1CCC[C@@H]1C#N 602979885 410134256 /nfs/dbraw/zinc/13/42/56/410134256.db2.gz IXAAIVPONQTXRL-NEPJUHHUSA-N 0 3 192.306 2.577 10 30 AFEEHN C=C(C)CCN(C)[C@H]1CCC[C@H]1C#N 602979887 410134480 /nfs/dbraw/zinc/13/44/80/410134480.db2.gz IXAAIVPONQTXRL-RYUDHWBXSA-N 0 3 192.306 2.577 10 30 AFEEHN C=C(C)CCN(C)[C@@H]1CCC[C@@H]1C#N 602979888 410134543 /nfs/dbraw/zinc/13/45/43/410134543.db2.gz IXAAIVPONQTXRL-VXGBXAGGSA-N 0 3 192.306 2.577 10 30 AFEEHN C=CCCN(C)c1ccnc(CC)c1 649340517 410190853 /nfs/dbraw/zinc/19/08/53/410190853.db2.gz DUTPSCGHPSCKPO-UHFFFAOYSA-N 0 3 190.290 2.656 10 30 AFEEHN C=CCN(C)CC1=CCCCC1 649455716 410204035 /nfs/dbraw/zinc/20/40/35/410204035.db2.gz GUCUYKATMODFDC-UHFFFAOYSA-N 0 3 165.280 2.605 10 30 AFEEHN CCC[C@@H]1C[C@H]1NCC#CC(C)(C)C 300769404 571909795 /nfs/dbraw/zinc/90/97/95/571909795.db2.gz PIIUSHFHVLVQIQ-VXGBXAGGSA-N 0 3 193.334 2.814 10 30 AFEEHN CC1(C)CCN(C(C)(C)C)C[C@H]1C#N 259369429 573203610 /nfs/dbraw/zinc/20/36/10/573203610.db2.gz VBAVYZMYIGJNAF-SNVBAGLBSA-N 0 3 194.322 2.657 10 30 AFEEHN CC[C@H](N)c1cc(Cl)ccc1C#N 238312143 573205928 /nfs/dbraw/zinc/20/59/28/573205928.db2.gz IDKLGUWDEBQIMH-JTQLQIEISA-N 0 3 194.665 2.621 10 30 AFEEHN C#CCN[C@H]1c2ccccc2CC[C@H]1C 132095628 573208686 /nfs/dbraw/zinc/20/86/86/573208686.db2.gz PULGGTCELHQDJY-BXUZGUMPSA-N 0 3 199.297 2.533 10 30 AFEEHN C#CCN[C@@H]1c2ccccc2CC[C@H]1C 132096028 573209206 /nfs/dbraw/zinc/20/92/06/573209206.db2.gz PULGGTCELHQDJY-RISCZKNCSA-N 0 3 199.297 2.533 10 30 AFEEHN CC[C@H](C(C)C)N(C)C[C@H](C)C#N 308308545 573212555 /nfs/dbraw/zinc/21/25/55/573212555.db2.gz PRARBOBHQXYXSH-GHMZBOCLSA-N 0 3 182.311 2.512 10 30 AFEEHN CC[C@@H](C(C)C)N(C)C[C@@H](C)C#N 308308548 573212979 /nfs/dbraw/zinc/21/29/79/573212979.db2.gz PRARBOBHQXYXSH-QWRGUYRKSA-N 0 3 182.311 2.512 10 30 AFEEHN C=CCC[C@H](N)c1sccc1OC 129004348 573213125 /nfs/dbraw/zinc/21/31/25/573213125.db2.gz CCACEZADQCDOQG-QMMMGPOBSA-N 0 3 197.303 2.723 10 30 AFEEHN C[C@H](C#N)CNC(C)(C)C(C)(C)C 308312205 573225253 /nfs/dbraw/zinc/22/52/53/573225253.db2.gz SOHIZTXTZRVQPM-SECBINFHSA-N 0 3 182.311 2.560 10 30 AFEEHN CCCCN1CCC(C)(C)[C@@H](C#N)C1 259379487 573225604 /nfs/dbraw/zinc/22/56/04/573225604.db2.gz WBAZZNRFZFNPOA-NSHDSACASA-N 0 3 194.322 2.658 10 30 AFEEHN CC#CCCCCNCc1ccoc1 308520117 573226143 /nfs/dbraw/zinc/22/61/43/573226143.db2.gz OJXWCYRODVIZAX-UHFFFAOYSA-N 0 3 191.274 2.563 10 30 AFEEHN C=CCC[C@@H](N)c1cc(OC)cs1 129121066 573237062 /nfs/dbraw/zinc/23/70/62/573237062.db2.gz VYVRAIDDSZVXAM-SECBINFHSA-N 0 3 197.303 2.723 10 30 AFEEHN C=C(C)[C@@H](NC)c1ccc(F)cc1 86024554 573237386 /nfs/dbraw/zinc/23/73/86/573237386.db2.gz CYLHFKNIXRCCSZ-LLVKDONJSA-N 0 3 179.238 2.662 10 30 AFEEHN C=C(C)[C@@H](N)c1ccccc1Cl 86029181 573239358 /nfs/dbraw/zinc/23/93/58/573239358.db2.gz IPVNIDJXBCJXHR-SNVBAGLBSA-N 0 3 181.666 2.916 10 30 AFEEHN CC[C@H](C)N1C=C(C)CC[C@@]1(C)C=O 105603747 573271876 /nfs/dbraw/zinc/27/18/76/573271876.db2.gz MITUNPFPVQLZIB-RYUDHWBXSA-N 0 3 195.306 2.742 10 30 AFEEHN C[C@H]1CCCC[C@@H]1CNC[C@@H](C)C#N 42861522 573273971 /nfs/dbraw/zinc/27/39/71/573273971.db2.gz VEFCEASBEROAND-SDDRHHMPSA-N 0 3 194.322 2.562 10 30 AFEEHN C[C@H]1CCCC[C@H]1CNC[C@@H](C)C#N 42861527 573273987 /nfs/dbraw/zinc/27/39/87/573273987.db2.gz VEFCEASBEROAND-SRVKXCTJSA-N 0 3 194.322 2.562 10 30 AFEEHN CC[C@@H](C)N1C=C(C)CC[C@@]1(C)C=O 105603745 573274018 /nfs/dbraw/zinc/27/40/18/573274018.db2.gz MITUNPFPVQLZIB-NEPJUHHUSA-N 0 3 195.306 2.742 10 30 AFEEHN C=CCCCCNCc1ccoc1 393583498 573303155 /nfs/dbraw/zinc/30/31/55/573303155.db2.gz MJXFDUOJQVMKOP-UHFFFAOYSA-N 0 3 179.263 2.726 10 30 AFEEHN C=C[C@H](NCCC)c1ccoc1C 132838315 573357938 /nfs/dbraw/zinc/35/79/38/573357938.db2.gz MZBAGCJJXCDTAK-NSHDSACASA-N 0 3 179.263 2.815 10 30 AFEEHN C=C[C@@H](NCCC)c1ccoc1C 132838545 573357951 /nfs/dbraw/zinc/35/79/51/573357951.db2.gz MZBAGCJJXCDTAK-LLVKDONJSA-N 0 3 179.263 2.815 10 30 AFEEHN C=C[C@H](C)[C@@H](N)c1c(F)cccc1F 238370276 573370175 /nfs/dbraw/zinc/37/01/75/573370175.db2.gz AAIQKKHQLSLKHF-WRWORJQWSA-N 0 3 197.228 2.787 10 30 AFEEHN C=C[C@H](C)[C@@H](N)c1cccc(F)c1F 238370451 573370409 /nfs/dbraw/zinc/37/04/09/573370409.db2.gz ULSPSCDZJLPTIE-WRWORJQWSA-N 0 3 197.228 2.787 10 30 AFEEHN C=CCNCc1ccc(Cl)c(C)c1 308366734 573371220 /nfs/dbraw/zinc/37/12/20/573371220.db2.gz IFFHKXFOTZIAHA-UHFFFAOYSA-N 0 3 195.693 2.924 10 30 AFEEHN CC[C@@H](C#N)CNCCC1CCCC1 259096122 573406671 /nfs/dbraw/zinc/40/66/71/573406671.db2.gz WLHJTRMNLWXJBP-NSHDSACASA-N 0 3 194.322 2.706 10 30 AFEEHN C=C[C@@H](N)c1cccc(OC)c1Cl 238393137 573430970 /nfs/dbraw/zinc/43/09/70/573430970.db2.gz OMIQYNFPNCWLRV-MRVPVSSYSA-N 0 3 197.665 2.534 10 30 AFEEHN CCC[C@@H](N[C@@H](CC)CC#N)C1CC1 308581464 573431112 /nfs/dbraw/zinc/43/11/12/573431112.db2.gz JYIBNMUMJMXWJS-NWDGAFQWSA-N 0 3 194.322 2.847 10 30 AFEEHN C=C(C)CN[C@@H](C)c1cc(C)ccn1 308581599 573434789 /nfs/dbraw/zinc/43/47/89/573434789.db2.gz PKFCYEFAAXHNRR-NSHDSACASA-N 0 3 190.290 2.617 10 30 AFEEHN C#C[C@@H](NCCC)c1sccc1C 130114515 573468515 /nfs/dbraw/zinc/46/85/15/573468515.db2.gz VDGPUSKNSQUNOR-SNVBAGLBSA-N 0 3 193.315 2.730 10 30 AFEEHN CCCCCN1CC[C@@H](C#N)C1(C)C 259463113 573470238 /nfs/dbraw/zinc/47/02/38/573470238.db2.gz QDPFCNAKEDZSPV-NSHDSACASA-N 0 3 194.322 2.801 10 30 AFEEHN CCCCCN1CC[C@H](C#N)C1(C)C 259463111 573474409 /nfs/dbraw/zinc/47/44/09/573474409.db2.gz QDPFCNAKEDZSPV-LLVKDONJSA-N 0 3 194.322 2.801 10 30 AFEEHN CC(C)[C@@H](C#N)CNCCC(C)(C)C 259106379 573485941 /nfs/dbraw/zinc/48/59/41/573485941.db2.gz XIXUYXQGAHCRBE-NSHDSACASA-N 0 3 196.338 2.808 10 30 AFEEHN C#C[C@H](NCCC)c1ccc(C)s1 130150693 573486330 /nfs/dbraw/zinc/48/63/30/573486330.db2.gz GKMUMHDEYHWFIB-JTQLQIEISA-N 0 3 193.315 2.730 10 30 AFEEHN C=CCN1C[C@@H](CC#N)CCC1(C)C 259472515 573491160 /nfs/dbraw/zinc/49/11/60/573491160.db2.gz QXFLNHYHCSDEJK-LLVKDONJSA-N 0 3 192.306 2.577 10 30 AFEEHN C=CCN1C[C@H](CC#N)CCC1(C)C 259472517 573494008 /nfs/dbraw/zinc/49/40/08/573494008.db2.gz QXFLNHYHCSDEJK-NSHDSACASA-N 0 3 192.306 2.577 10 30 AFEEHN CC1(C)CCC[C@@H](NCCC#N)CC1 83435291 573500287 /nfs/dbraw/zinc/50/02/87/573500287.db2.gz DOBMVHCEKXINRF-LLVKDONJSA-N 0 3 194.322 2.849 10 30 AFEEHN C[C@H](C#N)[C@H](C)N[C@H](C)C1CCCC1 308603575 573519176 /nfs/dbraw/zinc/51/91/76/573519176.db2.gz BGMNQECPLUJQSV-OUAUKWLOSA-N 0 3 194.322 2.703 10 30 AFEEHN C[C@H](N[C@@H](C)[C@H](C)C#N)C1CCCC1 308603582 573519541 /nfs/dbraw/zinc/51/95/41/573519541.db2.gz BGMNQECPLUJQSV-VWYCJHECSA-N 0 3 194.322 2.703 10 30 AFEEHN CCCCN1CCC[C@@H](C#N)C1(C)C 259493258 573536751 /nfs/dbraw/zinc/53/67/51/573536751.db2.gz SFPJJPPDHUQMLR-NSHDSACASA-N 0 3 194.322 2.801 10 30 AFEEHN CCC(CC)[C@H](C)N[C@@H](C)[C@@H](C)C#N 308618852 573546325 /nfs/dbraw/zinc/54/63/25/573546325.db2.gz SJYMTUXNLLTUPX-DCAQKATOSA-N 0 3 196.338 2.949 10 30 AFEEHN CC(C)CCN1CC[C@H](C#N)C1(C)C 259505032 573555085 /nfs/dbraw/zinc/55/50/85/573555085.db2.gz TZJZSMBJAVLOTC-LLVKDONJSA-N 0 3 194.322 2.657 10 30 AFEEHN N#CCCCN1CC2(CCCCC2)C1 86681309 573565490 /nfs/dbraw/zinc/56/54/90/573565490.db2.gz NINLSURJUKAMJU-UHFFFAOYSA-N 0 3 192.306 2.556 10 30 AFEEHN CC(C)C[C@@H]1[C@@H](C#N)CCN1C(C)C 259615675 573576989 /nfs/dbraw/zinc/57/69/89/573576989.db2.gz HAHNZHOJSPNFTC-VXGBXAGGSA-N 0 3 194.322 2.655 10 30 AFEEHN CCc1ccc([C@@H](N)CCC#N)cc1 259516781 573584087 /nfs/dbraw/zinc/58/40/87/573584087.db2.gz RYKZDLCKNLBBQL-LBPRGKRZSA-N 0 3 188.274 2.553 10 30 AFEEHN Cc1ccc(C)c([C@H](N)CCC#N)c1 259519557 573587413 /nfs/dbraw/zinc/58/74/13/573587413.db2.gz SBTCLLIAUGPKSC-GFCCVEGCSA-N 0 3 188.274 2.607 10 30 AFEEHN CCC(C)(C)CNC[C@@H](C#N)C(C)C 259116907 573587827 /nfs/dbraw/zinc/58/78/27/573587827.db2.gz YAZSHDQEXSJFPP-LLVKDONJSA-N 0 3 196.338 2.808 10 30 AFEEHN C[C@H](CC#N)N1CCCC(C)(C)CC1 83680510 573592486 /nfs/dbraw/zinc/59/24/86/573592486.db2.gz WEPLQGZYGIDORN-LLVKDONJSA-N 0 3 194.322 2.801 10 30 AFEEHN C=C[C@@H](N)c1cc2cccc(C)c2[nH]1 238456929 573598061 /nfs/dbraw/zinc/59/80/61/573598061.db2.gz JLOZNDHHNYHKKM-SNVBAGLBSA-N 0 3 186.258 2.662 10 30 AFEEHN CC[C@H](C#N)CN(C)CC1CCCC1 259123267 573601942 /nfs/dbraw/zinc/60/19/42/573601942.db2.gz YMVNAKSNDBBGBH-LLVKDONJSA-N 0 3 194.322 2.658 10 30 AFEEHN C[C@H](C#N)[C@H](C)NCC1CC(C)(C)C1 308660090 573629547 /nfs/dbraw/zinc/62/95/47/573629547.db2.gz PPFDYISAOMIYIX-ZJUUUORDSA-N 0 3 194.322 2.560 10 30 AFEEHN C=C[C@H](NCC)c1cc(C)ccc1F 130552239 573629564 /nfs/dbraw/zinc/62/95/64/573629564.db2.gz BGJHPAKDTQYWPV-LBPRGKRZSA-N 0 3 193.265 2.971 10 30 AFEEHN C=C[C@@H](NCCC)c1ccc(C)o1 130648931 573638056 /nfs/dbraw/zinc/63/80/56/573638056.db2.gz CWAJCORXGKZURP-SNVBAGLBSA-N 0 3 179.263 2.815 10 30 AFEEHN C=C[C@H](NCC)c1ccc(C)s1 130700372 573656267 /nfs/dbraw/zinc/65/62/67/573656267.db2.gz SBKVALMBJYNFAU-VIFPVBQESA-N 0 3 181.304 2.893 10 30 AFEEHN C=C[C@@H](NCC)c1ccc(C)s1 130700579 573656343 /nfs/dbraw/zinc/65/63/43/573656343.db2.gz SBKVALMBJYNFAU-SECBINFHSA-N 0 3 181.304 2.893 10 30 AFEEHN C=C[C@H](C)N[C@H](C)c1cc(C)ccn1 308667698 573668912 /nfs/dbraw/zinc/66/89/12/573668912.db2.gz TZCVBCCCNSFYCO-WDEREUQCSA-N 0 3 190.290 2.615 10 30 AFEEHN C=C[C@@H](C)N[C@@H](C)c1cc(C)ccn1 308667688 573669244 /nfs/dbraw/zinc/66/92/44/573669244.db2.gz TZCVBCCCNSFYCO-MNOVXSKESA-N 0 3 190.290 2.615 10 30 AFEEHN C=C[C@H](C)N[C@@H](C)c1cc(C)ccn1 308667692 573669257 /nfs/dbraw/zinc/66/92/57/573669257.db2.gz TZCVBCCCNSFYCO-QWRGUYRKSA-N 0 3 190.290 2.615 10 30 AFEEHN C[C@H](CCC1CC1)N[C@H](C)[C@@H](C)C#N 308670851 573682852 /nfs/dbraw/zinc/68/28/52/573682852.db2.gz VASWETJBWAUWDA-HBNTYKKESA-N 0 3 194.322 2.703 10 30 AFEEHN C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)CC#N 308669130 573686264 /nfs/dbraw/zinc/68/62/64/573686264.db2.gz UQTRBZCDJCVHRY-TUAOUCFPSA-N 0 3 192.306 2.623 10 30 AFEEHN C[C@H](CCC1CCCC1)NCCC#N 308672496 573686337 /nfs/dbraw/zinc/68/63/37/573686337.db2.gz VKADWJHFMPXWPV-LLVKDONJSA-N 0 3 194.322 2.849 10 30 AFEEHN CC(C)CCN1CCCC[C@@H]1CC#N 259159804 573686621 /nfs/dbraw/zinc/68/66/21/573686621.db2.gz GADMFUDLUXZLGV-GFCCVEGCSA-N 0 3 194.322 2.801 10 30 AFEEHN CC(C)CCN1CCCC[C@H]1CC#N 259159807 573686690 /nfs/dbraw/zinc/68/66/90/573686690.db2.gz GADMFUDLUXZLGV-LBPRGKRZSA-N 0 3 194.322 2.801 10 30 AFEEHN C=C(C)C[C@H](N)c1sccc1OC 130856465 573686750 /nfs/dbraw/zinc/68/67/50/573686750.db2.gz RBXRIAKRPBAPLV-QMMMGPOBSA-N 0 3 197.303 2.723 10 30 AFEEHN C[C@@H](C#N)[C@@H](C)NCC1CCCCC1 308670438 573686776 /nfs/dbraw/zinc/68/67/76/573686776.db2.gz UZHHCLXESCJGME-WDEREUQCSA-N 0 3 194.322 2.704 10 30 AFEEHN C[C@H](C#N)[C@H](C)NCC1CCCCC1 308670417 573686797 /nfs/dbraw/zinc/68/67/97/573686797.db2.gz UZHHCLXESCJGME-MNOVXSKESA-N 0 3 194.322 2.704 10 30 AFEEHN C=C([C@H](NC)C(C)(C)C)C(F)(F)F 393551394 573698033 /nfs/dbraw/zinc/69/80/33/573698033.db2.gz RMAGMCSTNPTPFP-ZETCQYMHSA-N 0 3 195.228 2.739 10 30 AFEEHN CC[C@H](C#N)CN(C)C1CCCCC1 258894744 573731737 /nfs/dbraw/zinc/73/17/37/573731737.db2.gz DIYWDVAHCUNKHO-LLVKDONJSA-N 0 3 194.322 2.801 10 30 AFEEHN CC[C@@H](C#N)CNCC1CCCCC1 258896751 573732251 /nfs/dbraw/zinc/73/22/51/573732251.db2.gz DMAACKUWDOWXED-NSHDSACASA-N 0 3 194.322 2.706 10 30 AFEEHN N#CC1CCCCCCCCC1=O 223459272 573739319 /nfs/dbraw/zinc/73/93/19/573739319.db2.gz VRCFHGLJBSIDIW-JTQLQIEISA-N 0 3 179.263 2.830 10 30 AFEEHN C=C[C@@H](N)c1c(Cl)cc(C)nc1C 238500151 573739620 /nfs/dbraw/zinc/73/96/20/573739620.db2.gz XNNGLSMCPSGVDP-SECBINFHSA-N 0 3 196.681 2.538 10 30 AFEEHN CC[C@H](CC#N)N1C[C@H](C)CC[C@@H]1C 84047627 573745897 /nfs/dbraw/zinc/74/58/97/573745897.db2.gz SQFFOYLHWXNUGZ-GRYCIOLGSA-N 0 3 194.322 2.799 10 30 AFEEHN CC(C)[C@@H]1CCCCN1[C@@H](C)CC#N 108304223 573747985 /nfs/dbraw/zinc/74/79/85/573747985.db2.gz IYKJRFUFYHBRPS-RYUDHWBXSA-N 0 3 194.322 2.799 10 30 AFEEHN CC(C)[C@H]1CCCCN1[C@@H](C)CC#N 108304225 573750967 /nfs/dbraw/zinc/75/09/67/573750967.db2.gz IYKJRFUFYHBRPS-NWDGAFQWSA-N 0 3 194.322 2.799 10 30 AFEEHN Cc1ccc([C@@H]([S-])C[NH3+])c(C)c1C 259182016 573755469 /nfs/dbraw/zinc/75/54/69/573755469.db2.gz KAVCJUCWSKKAKN-NSHDSACASA-N 0 3 195.331 2.541 10 30 AFEEHN C=CC[C@H](NCCC)c1cnsc1 404898361 573773543 /nfs/dbraw/zinc/77/35/43/573773543.db2.gz ZQKTUJPKPNAKPM-JTQLQIEISA-N 0 3 196.319 2.760 10 30 AFEEHN C=CC[C@@H](NCCC)c1cnsc1 404898362 573773581 /nfs/dbraw/zinc/77/35/81/573773581.db2.gz ZQKTUJPKPNAKPM-SNVBAGLBSA-N 0 3 196.319 2.760 10 30 AFEEHN C=C[C@@H](N)c1cc2cc(C)ccc2[nH]1 238510323 573773825 /nfs/dbraw/zinc/77/38/25/573773825.db2.gz CAGZTZRKAYAWFB-SNVBAGLBSA-N 0 3 186.258 2.662 10 30 AFEEHN CC1(C)[C@H](C#N)CCN1C1CCCC1 259567195 573775253 /nfs/dbraw/zinc/77/52/53/573775253.db2.gz YIFRWCWXTBMQQY-JTQLQIEISA-N 0 3 192.306 2.553 10 30 AFEEHN CC(C)CN1CCC[C@H](C#N)C1(C)C 259179081 573775675 /nfs/dbraw/zinc/77/56/75/573775675.db2.gz BAWYXLKOPONEDC-LLVKDONJSA-N 0 3 194.322 2.657 10 30 AFEEHN C=C(C)CN[C@H](CC)c1ccncc1 308741255 573784307 /nfs/dbraw/zinc/78/43/07/573784307.db2.gz OUCKVNWONLZVMJ-GFCCVEGCSA-N 0 3 190.290 2.698 10 30 AFEEHN CCCN(CC(C)C)[C@@H](C)CC#N 393591194 573807352 /nfs/dbraw/zinc/80/73/52/573807352.db2.gz QGQDLLXMWZLGRN-NSHDSACASA-N 0 3 182.311 2.657 10 30 AFEEHN C=C(CC)C[C@@H](N)c1ncccc1F 131316909 573814250 /nfs/dbraw/zinc/81/42/50/573814250.db2.gz LMAZJKFNFDPKMV-SNVBAGLBSA-N 0 3 194.253 2.577 10 30 AFEEHN CC[C@H](C)[C@H]1CC[C@@H](NCCC#N)C1 308762486 573835502 /nfs/dbraw/zinc/83/55/02/573835502.db2.gz YQLQZWCQAVRJSN-SDDRHHMPSA-N 0 3 194.322 2.704 10 30 AFEEHN CC(C)N[C@@](C)(C#CCl)C(C)C 238149537 573837924 /nfs/dbraw/zinc/83/79/24/573837924.db2.gz HKLZMNHRLASLDI-JTQLQIEISA-N 0 3 187.714 2.599 10 30 AFEEHN C=C(C)[C@@H](NCC)c1ccc(C)o1 131379023 573858900 /nfs/dbraw/zinc/85/89/00/573858900.db2.gz UACHIJHIBCHFRD-LLVKDONJSA-N 0 3 179.263 2.815 10 30 AFEEHN C=C(C)[C@H](NC)c1cc(OC)cs1 131500571 573866502 /nfs/dbraw/zinc/86/65/02/573866502.db2.gz QEIYLISLTBBVGZ-JTQLQIEISA-N 0 3 197.303 2.593 10 30 AFEEHN C#CC(C)(C)N[C@@H]1C=CCCCCC1 308459734 573876299 /nfs/dbraw/zinc/87/62/99/573876299.db2.gz PSWRGVYSDMGUKB-GFCCVEGCSA-N 0 3 191.318 2.877 10 30 AFEEHN C=C(C)[C@H](NC)c1ccc(CC)o1 131453371 573878518 /nfs/dbraw/zinc/87/85/18/573878518.db2.gz SEHLXAGABUWMGQ-NSHDSACASA-N 0 3 179.263 2.679 10 30 AFEEHN CCC(C#N)C(=O)C1(C)CCCC1 87316772 573884004 /nfs/dbraw/zinc/88/40/04/573884004.db2.gz BTTNKZGRGGDJAR-VIFPVBQESA-N 0 3 179.263 2.686 10 30 AFEEHN CC#CCN[C@@H]1c2ccccc2C[C@@H]1C 131580744 573884301 /nfs/dbraw/zinc/88/43/01/573884301.db2.gz NSOJFCQMQBUGQS-FZMZJTMJSA-N 0 3 199.297 2.533 10 30 AFEEHN CC#CCN[C@H]1c2ccccc2C[C@H]1C 131581333 573884605 /nfs/dbraw/zinc/88/46/05/573884605.db2.gz NSOJFCQMQBUGQS-BXUZGUMPSA-N 0 3 199.297 2.533 10 30 AFEEHN CC(C)C[C@@H](N(C)C)C1(C#N)CCC1 259577814 573890475 /nfs/dbraw/zinc/89/04/75/573890475.db2.gz PNXNJCMPODEMKA-LLVKDONJSA-N 0 3 194.322 2.657 10 30 AFEEHN C=C[C@](C)(C(C)C)[C@@H]1NC[C@@H](C)S1 238192824 573903074 /nfs/dbraw/zinc/90/30/74/573903074.db2.gz ZUGPVEQUEQGTKW-GMTAPVOTSA-N 0 3 199.363 2.886 10 30 AFEEHN CCC#C[C@H](C)NCc1ccccc1 224755685 573934187 /nfs/dbraw/zinc/93/41/87/573934187.db2.gz ZOJRTRYZNDLWHJ-LBPRGKRZSA-N 0 3 187.286 2.578 10 30 AFEEHN CC[C@@H](CC#N)N(C)CC(C)(C)C 45073509 573946519 /nfs/dbraw/zinc/94/65/19/573946519.db2.gz HKLNNSKULUHNIM-JTQLQIEISA-N 0 3 182.311 2.657 10 30 AFEEHN CC1(C)CC(=N)C[C@@](C)(C#N)C1 36404247 573955500 /nfs/dbraw/zinc/95/55/00/573955500.db2.gz GIPTWMWUUGMLIV-SNVBAGLBSA-N 0 3 164.252 2.746 10 30 AFEEHN CC[C@@H]1CCCC[C@@H]1N[C@@H](C)CC#N 42579068 573984570 /nfs/dbraw/zinc/98/45/70/573984570.db2.gz HTKUPOCOTSZTPC-TUAOUCFPSA-N 0 3 194.322 2.847 10 30 AFEEHN CC(C)CN(C(C)C)[C@@H](C)CC#N 42582840 573984711 /nfs/dbraw/zinc/98/47/11/573984711.db2.gz NGUKGIUYQNGIOD-NSHDSACASA-N 0 3 182.311 2.655 10 30 AFEEHN C=CCN=C1NC(C)=CC(C)(C)S1 238224539 573984772 /nfs/dbraw/zinc/98/47/72/573984772.db2.gz LFAILMDUNSDEOI-UHFFFAOYSA-N 0 3 196.319 2.547 10 30 AFEEHN CC[C@@H](CC#N)N(CC1CC1)C(C)C 42582880 573985351 /nfs/dbraw/zinc/98/53/51/573985351.db2.gz VOEJRQJTBLOLKK-LBPRGKRZSA-N 0 3 194.322 2.799 10 30 AFEEHN CC(C)C[C@@H](C)N(C)[C@@H](C)CC#N 42582614 573985423 /nfs/dbraw/zinc/98/54/23/573985423.db2.gz FDQGVXGQSMQJSD-WDEREUQCSA-N 0 3 182.311 2.655 10 30 AFEEHN Cc1cccc([C@@H](CS)N(C)C)c1 259258636 573985445 /nfs/dbraw/zinc/98/54/45/573985445.db2.gz BRGXEOPYDZZXIU-LLVKDONJSA-N 0 3 195.331 2.528 10 30 AFEEHN O=CC(F)c1c(F)cccc1Cl 104463742 573990913 /nfs/dbraw/zinc/99/09/13/573990913.db2.gz QOFZNDLTRKJDIJ-SSDOTTSWSA-N 0 3 190.576 2.689 10 30 AFEEHN O=CC(F)c1c(F)cccc1Cl 104463743 573991014 /nfs/dbraw/zinc/99/10/14/573991014.db2.gz QOFZNDLTRKJDIJ-ZETCQYMHSA-N 0 3 190.576 2.689 10 30 AFEEHN C#CCC[C@H](NC)c1ccc(CC)o1 127934255 573995514 /nfs/dbraw/zinc/99/55/14/573995514.db2.gz GUYVBNYINASYSB-NSHDSACASA-N 0 3 191.274 2.516 10 30 AFEEHN C=C[C@H](N)c1cc(F)cc(F)c1CC 104490415 574008730 /nfs/dbraw/zinc/00/87/30/574008730.db2.gz KAEAVDZESOQEDY-NSHDSACASA-N 0 3 197.228 2.713 10 30 AFEEHN CC[C@H](C)N1CCC(C)(C)[C@@H](C#N)C1 259272349 574008172 /nfs/dbraw/zinc/00/81/72/574008172.db2.gz NVUSIQSHWNBBNO-QWRGUYRKSA-N 0 3 194.322 2.657 10 30 AFEEHN C=C[C@@H](N)c1ccc(C)cc1Cl 104505821 574018530 /nfs/dbraw/zinc/01/85/30/574018530.db2.gz BKYSYGNWNNGOJU-SNVBAGLBSA-N 0 3 181.666 2.834 10 30 AFEEHN C=C[C@@H](N)c1ccccc1C(C)C 104507234 574020454 /nfs/dbraw/zinc/02/04/54/574020454.db2.gz IWLZJWJOOZAJAT-GFCCVEGCSA-N 0 3 175.275 2.996 10 30 AFEEHN CCCCCN(CC)C[C@H](C)C#N 42449555 517553873 /nfs/dbraw/zinc/55/38/73/517553873.db2.gz HTINLSLQMPNQQD-LLVKDONJSA-N 0 3 182.311 2.658 10 30 AFEEHN C=C(Cl)CN1CCCC1(C)C 307628721 629797511 /nfs/dbraw/zinc/79/75/11/629797511.db2.gz WVXCDPBDWBYUBZ-UHFFFAOYSA-N 0 3 173.687 2.613 10 30 AFEEHN C=CC[C@@H]1CCN1CCC(F)(F)F 934459566 629885292 /nfs/dbraw/zinc/88/52/92/629885292.db2.gz DKYKUBNAWWHSMD-MRVPVSSYSA-N 0 3 193.212 2.589 10 30 AFEEHN C=CC[C@H]1CCN1CCC(F)(F)F 934459576 629885984 /nfs/dbraw/zinc/88/59/84/629885984.db2.gz DKYKUBNAWWHSMD-QMMMGPOBSA-N 0 3 193.212 2.589 10 30 AFEEHN C=C(C)CN(CC)Cc1cc(C)co1 893877546 630069638 /nfs/dbraw/zinc/06/96/38/630069638.db2.gz KZISETLITVZATN-UHFFFAOYSA-N 0 3 193.290 2.986 10 30 AFEEHN C=C(Cl)CN1CCCC12CCC2 307755081 630249398 /nfs/dbraw/zinc/24/93/98/630249398.db2.gz CGVXEDNRALMVJR-UHFFFAOYSA-N 0 3 185.698 2.757 10 30 AFEEHN C#CCN(Cc1cccs1)C(C)C 42519292 630748429 /nfs/dbraw/zinc/74/84/29/630748429.db2.gz FFZMYDVVYHYZCF-UHFFFAOYSA-N 0 3 193.315 2.592 10 30 AFEEHN CC(C)=CCNCC#Cc1ccccc1 232599314 630749141 /nfs/dbraw/zinc/74/91/41/630749141.db2.gz MLHBFMNARFPSFH-UHFFFAOYSA-N 0 3 199.297 2.594 10 30 AFEEHN C=C(Cl)CNC1CC(C(C)C)C1 232558530 630749941 /nfs/dbraw/zinc/74/99/41/630749941.db2.gz WFVFGHSEJVQQCP-UHFFFAOYSA-N 0 3 187.714 2.763 10 30 AFEEHN C=C(CC)CNCC#Cc1ccccc1 313488145 630760352 /nfs/dbraw/zinc/76/03/52/630760352.db2.gz PVEZFOJGOGCMKW-UHFFFAOYSA-N 0 3 199.297 2.594 10 30 AFEEHN C#CCN(Cc1cccc(C)c1)C1CC1 917063130 630789211 /nfs/dbraw/zinc/78/92/11/630789211.db2.gz BQBCAWSEETXEHB-UHFFFAOYSA-N 0 3 199.297 2.593 10 30 AFEEHN C#CCN(Cc1ccc(C)cc1)C1CC1 916978088 630789804 /nfs/dbraw/zinc/78/98/04/630789804.db2.gz FIUHPGLZQWPBMX-UHFFFAOYSA-N 0 3 199.297 2.593 10 30 AFEEHN CCCCCCN[C@@H]1CCC[C@H]1C#N 61890972 630872895 /nfs/dbraw/zinc/87/28/95/630872895.db2.gz JDSMEMCMIGNBRK-NWDGAFQWSA-N 0 3 194.322 2.849 10 30 AFEEHN CCCCCCN[C@H]1CCC[C@@H]1C#N 61890971 630873660 /nfs/dbraw/zinc/87/36/60/630873660.db2.gz JDSMEMCMIGNBRK-NEPJUHHUSA-N 0 3 194.322 2.849 10 30 AFEEHN CCCCCCN[C@H]1CCC[C@H]1C#N 61890973 630874259 /nfs/dbraw/zinc/87/42/59/630874259.db2.gz JDSMEMCMIGNBRK-RYUDHWBXSA-N 0 3 194.322 2.849 10 30 AFEEHN C=CCCN(Cc1ccoc1)C1CC1 934003440 631143541 /nfs/dbraw/zinc/14/35/41/631143541.db2.gz IDTSLLDZKCFUJU-UHFFFAOYSA-N 0 3 191.274 2.820 10 30 AFEEHN CC(C)CC[C@H](C)N[C@@H](C)CC#N 68890422 1224174061 /nfs/dbraw/zinc/17/40/61/1224174061.db2.gz HKPTZYCVAGGMSH-QWRGUYRKSA-N 0 3 182.311 2.703 10 30 AFEEHN CC[C@H](CC#N)N1CC2CCC1CC2 307187981 1224280376 /nfs/dbraw/zinc/28/03/76/1224280376.db2.gz ATVMRECTMUFDLE-MOENNCHZSA-N 0 3 192.306 2.553 10 30 AFEEHN CC[C@@H](CC#N)N1CC2CCC1CC2 307187980 1224280589 /nfs/dbraw/zinc/28/05/89/1224280589.db2.gz ATVMRECTMUFDLE-CXQJBGSLSA-N 0 3 192.306 2.553 10 30 AFEEHN N#CC1(CCCCN2CCC2)CCC1 675075473 537793854 /nfs/dbraw/zinc/79/38/54/537793854.db2.gz PWDMVVRRHHOSID-UHFFFAOYSA-N 0 3 192.306 2.556 10 30 AFEEHN C=C[C@H](C)N[C@@H](C)c1ccc(C)o1 157293932 538021717 /nfs/dbraw/zinc/02/17/17/538021717.db2.gz DLKOEOZFVZHJJL-WPRPVWTQSA-N 0 3 179.263 2.813 10 30 AFEEHN C=C[C@@H](C)N[C@H](C)c1ccc(C)o1 157294094 538022319 /nfs/dbraw/zinc/02/23/19/538022319.db2.gz DLKOEOZFVZHJJL-PSASIEDQSA-N 0 3 179.263 2.813 10 30 AFEEHN C=C[C@H](C)N[C@H](C)c1ccc(C)o1 157293779 538022612 /nfs/dbraw/zinc/02/26/12/538022612.db2.gz DLKOEOZFVZHJJL-WCBMZHEXSA-N 0 3 179.263 2.813 10 30 AFEEHN C=C[C@@H](C)N[C@@H](C)c1ccc(C)o1 157294233 538022942 /nfs/dbraw/zinc/02/29/42/538022942.db2.gz DLKOEOZFVZHJJL-SCZZXKLOSA-N 0 3 179.263 2.813 10 30 AFEEHN C=CCN(CC(=C)CC)C1CC1 379310926 538337024 /nfs/dbraw/zinc/33/70/24/538337024.db2.gz DBFXRZGSLSFQCW-UHFFFAOYSA-N 0 3 165.280 2.603 10 30 AFEEHN C=C(C)CNCc1csc(C)c1 379315024 538341299 /nfs/dbraw/zinc/34/12/99/538341299.db2.gz ADGUDHPUTLFTFX-UHFFFAOYSA-N 0 3 181.304 2.722 10 30 AFEEHN C=C(CC)CN[C@H](C)c1ccoc1 379351416 538357352 /nfs/dbraw/zinc/35/73/52/538357352.db2.gz AIBVUAGRYCYZIG-SNVBAGLBSA-N 0 3 179.263 2.896 10 30 AFEEHN C=C(CC)CN[C@@H](C)c1ccoc1 379351415 538358075 /nfs/dbraw/zinc/35/80/75/538358075.db2.gz AIBVUAGRYCYZIG-JTQLQIEISA-N 0 3 179.263 2.896 10 30 AFEEHN C=CCN1CCSC(CC)(CC)C1 379360311 538362702 /nfs/dbraw/zinc/36/27/02/538362702.db2.gz BXXRIRVVVPSGPY-UHFFFAOYSA-N 0 3 199.363 2.780 10 30 AFEEHN C=C(C)CCN(C)Cc1ccco1 379380835 538373825 /nfs/dbraw/zinc/37/38/25/538373825.db2.gz FXDHUZVYMHUBAH-UHFFFAOYSA-N 0 3 179.263 2.678 10 30 AFEEHN C=CCN(C)Cc1cc(C)sc1C 379381216 538376101 /nfs/dbraw/zinc/37/61/01/538376101.db2.gz GKHLNFLTCXCRJR-UHFFFAOYSA-N 0 3 195.331 2.983 10 30 AFEEHN C=CCCCNCc1ccc(CC)o1 379483655 538411402 /nfs/dbraw/zinc/41/14/02/538411402.db2.gz BZVIYFXOJJLTSP-UHFFFAOYSA-N 0 3 193.290 2.898 10 30 AFEEHN C=CCCCNCc1ccc(Cl)o1 388654687 538435858 /nfs/dbraw/zinc/43/58/58/538435858.db2.gz SVKJOQMNTOUHMG-UHFFFAOYSA-N 0 3 199.681 2.989 10 30 AFEEHN C=CCCCN[C@@H](C)c1cncs1 388671381 538436235 /nfs/dbraw/zinc/43/62/35/538436235.db2.gz YAMOGSSQCHDZOH-VIFPVBQESA-N 0 3 196.319 2.760 10 30 AFEEHN C=CCCCN[C@H](C)c1cncs1 388671380 538436365 /nfs/dbraw/zinc/43/63/65/538436365.db2.gz YAMOGSSQCHDZOH-SECBINFHSA-N 0 3 196.319 2.760 10 30 AFEEHN C=CCCCN(C)Cc1cncs1 388712969 538436946 /nfs/dbraw/zinc/43/69/46/538436946.db2.gz PZSJBUWUXJRUPL-UHFFFAOYSA-N 0 3 196.319 2.541 10 30 AFEEHN CCCCNCc1csc(C#N)c1 669381893 538445840 /nfs/dbraw/zinc/44/58/40/538445840.db2.gz ZCGDEXWBOGZMNS-UHFFFAOYSA-N 0 3 194.303 2.509 10 30 AFEEHN CC[C@@H](C)NCc1csc(C#N)c1 669381453 541349177 /nfs/dbraw/zinc/34/91/77/541349177.db2.gz KERSELJRALWLOB-MRVPVSSYSA-N 0 3 194.303 2.508 10 30 AFEEHN CC[C@H](C)NCc1csc(C#N)c1 669381454 541349705 /nfs/dbraw/zinc/34/97/05/541349705.db2.gz KERSELJRALWLOB-QMMMGPOBSA-N 0 3 194.303 2.508 10 30 AFEEHN CC(C)(C)NCc1csc(C#N)c1 669381230 541350023 /nfs/dbraw/zinc/35/00/23/541350023.db2.gz CGBVPMUPNLNAON-UHFFFAOYSA-N 0 3 194.303 2.508 10 30 AFEEHN C=C(Cl)CN1C[C@H](C)CC[C@H]1C 306553936 757069524 /nfs/dbraw/zinc/06/95/24/757069524.db2.gz JRGGWWNNLUNSAK-PSASIEDQSA-N 0 3 187.714 2.859 10 30 AFEEHN CC(C)[C@H](C)CN[C@H]1CCC[C@@H]1C#N 81059429 571973801 /nfs/dbraw/zinc/97/38/01/571973801.db2.gz QNZYTAAEWZFRBB-UTUOFQBUSA-N 0 3 194.322 2.560 10 30 AFEEHN CCC[C@@H](C)N(C)[C@H](CC)CC#N 252418570 571833466 /nfs/dbraw/zinc/83/34/66/571833466.db2.gz VPCOXCKEIAYUHQ-GHMZBOCLSA-N 0 3 182.311 2.799 10 30 AFEEHN CC[C@@H](CC#N)NC[C@H](C)C(C)C 81059160 571974220 /nfs/dbraw/zinc/97/42/20/571974220.db2.gz AZJCUFOTUZBSOD-QWRGUYRKSA-N 0 3 182.311 2.560 10 30 AFEEHN C=CC[C@@H](N)C(=O)CCCC(C)(C)C 300873861 571998771 /nfs/dbraw/zinc/99/87/71/571998771.db2.gz NOZRKYLKWIAVKC-SNVBAGLBSA-N 0 3 197.322 2.675 10 30 AFEEHN CCCCCC[C@H]1CCC[C@@H](C=O)N1 238226391 572002240 /nfs/dbraw/zinc/00/22/40/572002240.db2.gz RAAYUGDDIFQGJX-RYUDHWBXSA-N 0 3 197.322 2.666 10 30 AFEEHN CCCCC[C@H](C)N[C@@H](C)CC#N 42570289 572034987 /nfs/dbraw/zinc/03/49/87/572034987.db2.gz UMAZDLDOKNCUTH-QWRGUYRKSA-N 0 3 182.311 2.847 10 30 AFEEHN CCC(C#N)C(=O)CCC(C)(C)C 300906591 572039863 /nfs/dbraw/zinc/03/98/63/572039863.db2.gz RLHOGRLLPAUVBX-VIFPVBQESA-N 0 3 181.279 2.932 10 30 AFEEHN CCC[C@@H](N)C(=O)C1=CCCCCC1 233292012 572051395 /nfs/dbraw/zinc/05/13/95/572051395.db2.gz HIVIDCBKIRAPQX-LLVKDONJSA-N 0 3 195.306 2.573 10 30 AFEEHN CCCN(CCC)[C@H](CC)CC#N 36677381 572058073 /nfs/dbraw/zinc/05/80/73/572058073.db2.gz LALDCWHNZVUEMF-LLVKDONJSA-N 0 3 182.311 2.801 10 30 AFEEHN CCC[C@H](C)N(C)[C@@H]1CCC[C@@H]1C#N 36790536 572069266 /nfs/dbraw/zinc/06/92/66/572069266.db2.gz WNMYQMYEJYYVQR-QJPTWQEYSA-N 0 3 194.322 2.799 10 30 AFEEHN C#CCCCCCN1CCC[C@H](F)C1 686675178 757309151 /nfs/dbraw/zinc/30/91/51/757309151.db2.gz HMRITHPVTCBFRM-LBPRGKRZSA-N 0 3 197.297 2.614 10 30 AFEEHN C#CCCCCCN1CCC[C@@H](F)C1 686675177 757309415 /nfs/dbraw/zinc/30/94/15/757309415.db2.gz HMRITHPVTCBFRM-GFCCVEGCSA-N 0 3 197.297 2.614 10 30 AFEEHN CCN(CCC#N)[C@H]1CCC[C@H](C)C1 70203843 572195204 /nfs/dbraw/zinc/19/52/04/572195204.db2.gz WZLRGLLZTQNLAB-RYUDHWBXSA-N 0 3 194.322 2.801 10 30 AFEEHN C=CCN[C@@H](C)c1sccc1C 69635789 572128990 /nfs/dbraw/zinc/12/89/90/572128990.db2.gz MAHHOPBTWFZLQC-VIFPVBQESA-N 0 3 181.304 2.893 10 30 AFEEHN CC(C)CCCCNCC1(C#N)CC1 691528210 757363493 /nfs/dbraw/zinc/36/34/93/757363493.db2.gz ZDSMRGHCMGSAQC-UHFFFAOYSA-N 0 3 194.322 2.706 10 30 AFEEHN C=CC[C@@H](NCC)c1ccoc1 69946917 572162779 /nfs/dbraw/zinc/16/27/79/572162779.db2.gz SKIHPTIHRURRNP-SNVBAGLBSA-N 0 3 165.236 2.506 10 30 AFEEHN C=C(Cl)CN[C@@H](C)CC(C)C 37681275 572173761 /nfs/dbraw/zinc/17/37/61/572173761.db2.gz PXGFCAUTSUYOEE-VIFPVBQESA-N 0 3 175.703 2.763 10 30 AFEEHN C=CCCOc1ccccc1[C@@H](C)N 70591002 572239717 /nfs/dbraw/zinc/23/97/17/572239717.db2.gz UVSOOUWRTBYWTP-SNVBAGLBSA-N 0 3 191.274 2.661 10 30 AFEEHN C=CCNCc1cc(C)c(F)c(C)c1 87315088 572415360 /nfs/dbraw/zinc/41/53/60/572415360.db2.gz XXBAIPBLERKYBH-UHFFFAOYSA-N 0 3 193.265 2.718 10 30 AFEEHN C=C(C)CNCc1sccc1CC 87310537 572415371 /nfs/dbraw/zinc/41/53/71/572415371.db2.gz PMJHMPIPNXSFGJ-UHFFFAOYSA-N 0 3 195.331 2.976 10 30 AFEEHN C=C(Cl)CN[C@@H]1C[C@]1(C)CC 307705093 572798094 /nfs/dbraw/zinc/79/80/94/572798094.db2.gz UZGAIXDQJUPSHT-BDAKNGLRSA-N 0 3 173.687 2.517 10 30 AFEEHN C=CC[C@@H](NC#CC)c1ccccc1 238038673 572915882 /nfs/dbraw/zinc/91/58/82/572915882.db2.gz JQBJWHRBRIBQGM-CYBMUJFWSA-N 0 3 185.270 2.874 10 30 AFEEHN C=C(Cl)CN[C@@H]1CC[C@H](C2CC2)C1 308194636 572923737 /nfs/dbraw/zinc/92/37/37/572923737.db2.gz RDFDGGQAOJBPQO-WDEREUQCSA-N 0 3 199.725 2.907 10 30 AFEEHN CCCC[C@H](C)N(C)C[C@@H](C)C#N 308215233 572948608 /nfs/dbraw/zinc/94/86/08/572948608.db2.gz ZHIHSSRDCLOGNC-QWRGUYRKSA-N 0 3 182.311 2.657 10 30 AFEEHN CCCC/C=C/[C@@H]1C(C=O)C1(F)F 238193195 572979285 /nfs/dbraw/zinc/97/92/85/572979285.db2.gz NGQMOGYTMDIODP-JKKBLNIGSA-N 0 3 188.217 2.813 10 30 AFEEHN CCCC/C=C/[C@@H]1C(C=O)C1(F)F 238193252 572979654 /nfs/dbraw/zinc/97/96/54/572979654.db2.gz NGQMOGYTMDIODP-RKWMXMRGSA-N 0 3 188.217 2.813 10 30 AFEEHN CCCCN1CCCC[C@@H]1CC#N 259302212 572996132 /nfs/dbraw/zinc/99/61/32/572996132.db2.gz PRYVWUYHGGRWMS-LLVKDONJSA-N 0 3 180.295 2.555 10 30 AFEEHN C=C(CNC)c1ccc(Cl)s1 258212530 573001368 /nfs/dbraw/zinc/00/13/68/573001368.db2.gz OFDHJNPWOHPQNH-UHFFFAOYSA-N 0 3 187.695 2.634 10 30 AFEEHN C=C[C@H](N)c1cccc(Cl)c1C 104574987 573023398 /nfs/dbraw/zinc/02/33/98/573023398.db2.gz ADJPTACXGATBGW-JTQLQIEISA-N 0 3 181.666 2.834 10 30 AFEEHN C#CC[C@@H](NC)c1coc2ccccc12 128695936 573106851 /nfs/dbraw/zinc/10/68/51/573106851.db2.gz PEOIAVPKMACJLO-GFCCVEGCSA-N 0 3 199.253 2.717 10 30 AFEEHN C#C[C@H](NCC)c1coc2ccccc12 128704435 573112615 /nfs/dbraw/zinc/11/26/15/573112615.db2.gz FQESVOBRVWBDPX-LBPRGKRZSA-N 0 3 199.253 2.717 10 30 AFEEHN C=C[C@](C)(CC)[C@@H]1NC[C@@H](C)S1 238287302 573117733 /nfs/dbraw/zinc/11/77/33/573117733.db2.gz IHYNLAIKDXDFIX-OPRDCNLKSA-N 0 3 185.336 2.640 10 30 AFEEHN C=C[C@](C)(CC)[C@H]1NC[C@@H](C)S1 238287354 573117829 /nfs/dbraw/zinc/11/78/29/573117829.db2.gz IHYNLAIKDXDFIX-KXUCPTDWSA-N 0 3 185.336 2.640 10 30 AFEEHN CCC[C@H](C)N(CCC#N)C(C)C 233333660 573120522 /nfs/dbraw/zinc/12/05/22/573120522.db2.gz GGQYJRUGVAKSGC-NSHDSACASA-N 0 3 182.311 2.799 10 30 AFEEHN CCC(CC)[C@@H](C)N[C@@H](C)CC#N 82632158 573139367 /nfs/dbraw/zinc/13/93/67/573139367.db2.gz KMDHNTLRZIGEIE-VHSXEESVSA-N 0 3 182.311 2.703 10 30 AFEEHN N#CCCNCCCC1CCCCC1 308505769 573157039 /nfs/dbraw/zinc/15/70/39/573157039.db2.gz FBBPSPIXXBEKNG-UHFFFAOYSA-N 0 3 194.322 2.850 10 30 AFEEHN CCCCCNC[C@@H](C#N)C(C)C 258559993 573160111 /nfs/dbraw/zinc/16/01/11/573160111.db2.gz BROVJMRJYKBAKC-LLVKDONJSA-N 0 3 182.311 2.562 10 30 AFEEHN C=CCN[C@H](C)c1ccnc(Cl)c1 308285997 573166395 /nfs/dbraw/zinc/16/63/95/573166395.db2.gz ZAZJGDOJJVPCHM-MRVPVSSYSA-N 0 3 196.681 2.572 10 30 AFEEHN C=CCN[C@@H](C)c1ccnc(Cl)c1 308285999 573166514 /nfs/dbraw/zinc/16/65/14/573166514.db2.gz ZAZJGDOJJVPCHM-QMMMGPOBSA-N 0 3 196.681 2.572 10 30 AFEEHN CC[C@H](C(C)C)N(C)C[C@@H](C)C#N 308308549 573211613 /nfs/dbraw/zinc/21/16/13/573211613.db2.gz PRARBOBHQXYXSH-WDEREUQCSA-N 0 3 182.311 2.512 10 30 AFEEHN C=CCN[C@@H](c1ccncc1)C(C)C 308518878 573220521 /nfs/dbraw/zinc/22/05/21/573220521.db2.gz NZCQHRHMFADVRS-GFCCVEGCSA-N 0 3 190.290 2.554 10 30 AFEEHN CCCCN1CCC(C)(C)[C@H](C#N)C1 259379484 573220667 /nfs/dbraw/zinc/22/06/67/573220667.db2.gz WBAZZNRFZFNPOA-LLVKDONJSA-N 0 3 194.322 2.658 10 30 AFEEHN C[C@@H](C#N)CNC(C)(C)C(C)(C)C 308312406 573227597 /nfs/dbraw/zinc/22/75/97/573227597.db2.gz SOHIZTXTZRVQPM-VIFPVBQESA-N 0 3 182.311 2.560 10 30 AFEEHN CCCCCCNCC(C)(C)C#N 129143585 573236076 /nfs/dbraw/zinc/23/60/76/573236076.db2.gz KNPLXFPHDJFMIF-UHFFFAOYSA-N 0 3 182.311 2.706 10 30 AFEEHN C=CCC[C@H](N)c1cc(OC)cs1 129121317 573239014 /nfs/dbraw/zinc/23/90/14/573239014.db2.gz VYVRAIDDSZVXAM-VIFPVBQESA-N 0 3 197.303 2.723 10 30 AFEEHN CN=CNc1ccc2ccccc2c1 238315725 573243099 /nfs/dbraw/zinc/24/30/99/573243099.db2.gz QGFWNYGPVRNJGL-UHFFFAOYSA-N 0 3 184.242 2.719 10 30 AFEEHN C=C(C)[C@H](NCC)c1ccoc1 86056401 573245454 /nfs/dbraw/zinc/24/54/54/573245454.db2.gz OTTLMYQIOLCJMD-JTQLQIEISA-N 0 3 165.236 2.506 10 30 AFEEHN C#C[C@@H](NCC=C(C)C)C(C)(C)C 308322078 573246672 /nfs/dbraw/zinc/24/66/72/573246672.db2.gz BXSWRMJFONJFPR-LLVKDONJSA-N 0 3 179.307 2.590 10 30 AFEEHN C=CCNCc1c(F)cccc1CC 308523361 573246685 /nfs/dbraw/zinc/24/66/85/573246685.db2.gz PXQMSWOVWHNWHH-UHFFFAOYSA-N 0 3 193.265 2.664 10 30 AFEEHN C[C@H](N(C)C[C@@H](C)C#N)C(C)(C)C 42763932 573257352 /nfs/dbraw/zinc/25/73/52/573257352.db2.gz JKJDKWPLUTWEHV-UWVGGRQHSA-N 0 3 182.311 2.512 10 30 AFEEHN C[C@@H]1CC[C@H](CNCC(C)(C)C#N)C1 405093616 573280794 /nfs/dbraw/zinc/28/07/94/573280794.db2.gz HZTXLYWFXBJAHD-MNOVXSKESA-N 0 3 194.322 2.562 10 30 AFEEHN C[C@H]1CC[C@H](CNCC(C)(C)C#N)C1 405093618 573281868 /nfs/dbraw/zinc/28/18/68/573281868.db2.gz HZTXLYWFXBJAHD-QWRGUYRKSA-N 0 3 194.322 2.562 10 30 AFEEHN CC[C@@H](C#N)CNCCC(C)(C)C 259069509 573283844 /nfs/dbraw/zinc/28/38/44/573283844.db2.gz UHJCDRNVAYAMLY-JTQLQIEISA-N 0 3 182.311 2.562 10 30 AFEEHN CC#CCCCCNCc1ccco1 308538252 573284494 /nfs/dbraw/zinc/28/44/94/573284494.db2.gz TXXBOOQAJOPPCR-UHFFFAOYSA-N 0 3 191.274 2.563 10 30 AFEEHN CCCc1ccc([C@@H]([S-])C[NH3+])cc1 259403730 573285184 /nfs/dbraw/zinc/28/51/84/573285184.db2.gz XPEFIGMXJVRMAK-NSHDSACASA-N 0 3 195.331 2.569 10 30 AFEEHN C=CC[C@@H](C)C(=O)[C@H](N)CC(C)(C)C 715756848 573286172 /nfs/dbraw/zinc/28/61/72/573286172.db2.gz MSXQGCSQSVDQGK-NXEZZACHSA-N 0 3 197.322 2.531 10 30 AFEEHN CC[C@@H](C#N)[C@@H](NC)C1CCCCC1 259402266 573286392 /nfs/dbraw/zinc/28/63/92/573286392.db2.gz XBUQPMMTPLNCIS-CMPLNLGQSA-N 0 3 194.322 2.704 10 30 AFEEHN C#CCN[C@@H]1CC[C@@H](C)c2ccccc21 132283360 573290573 /nfs/dbraw/zinc/29/05/73/573290573.db2.gz ZTQXXILMWKDIDG-BXUZGUMPSA-N 0 3 199.297 2.848 10 30 AFEEHN CN[C@H](CCC#N)c1sccc1C 259405943 573290950 /nfs/dbraw/zinc/29/09/50/573290950.db2.gz MVHMIEVMFJZRRR-SECBINFHSA-N 0 3 194.303 2.621 10 30 AFEEHN CN[C@H](CCC#N)c1cccc(C)c1 259425736 573353424 /nfs/dbraw/zinc/35/34/24/573353424.db2.gz NTHGEXMWPQDRAO-GFCCVEGCSA-N 0 3 188.274 2.559 10 30 AFEEHN CCCC(C)(C)N[C@@H](CC)CC#N 126122636 573357149 /nfs/dbraw/zinc/35/71/49/573357149.db2.gz YUSMCEQOARZFTN-JTQLQIEISA-N 0 3 182.311 2.847 10 30 AFEEHN N#CC1([C@@H](N)C2CCCCC2)CCC1 259427417 573359002 /nfs/dbraw/zinc/35/90/02/573359002.db2.gz MYQOJXBIVZUPFX-NSHDSACASA-N 0 3 192.306 2.588 10 30 AFEEHN C#CCN[C@@H]1CCCc2ccc(C)cc21 126132403 573373157 /nfs/dbraw/zinc/37/31/57/573373157.db2.gz HPHUZDGOWLSALS-CQSZACIVSA-N 0 3 199.297 2.595 10 30 AFEEHN C=C[C@H](N)c1cccc(OC)c1Cl 238388733 573402731 /nfs/dbraw/zinc/40/27/31/573402731.db2.gz OMIQYNFPNCWLRV-QMMMGPOBSA-N 0 3 197.665 2.534 10 30 AFEEHN CC[C@H](C#N)CNCCC1CCCC1 259096118 573404334 /nfs/dbraw/zinc/40/43/34/573404334.db2.gz WLHJTRMNLWXJBP-LLVKDONJSA-N 0 3 194.322 2.706 10 30 AFEEHN CC[C@@H](C#N)CNC1CCCCCC1 258654096 573445959 /nfs/dbraw/zinc/44/59/59/573445959.db2.gz MYCSWKWMVLPUCU-NSHDSACASA-N 0 3 194.322 2.849 10 30 AFEEHN CC(C)[C@@H](C#N)CNC1CCCCC1 258658457 573452054 /nfs/dbraw/zinc/45/20/54/573452054.db2.gz NJMWGSBWXHZNTF-NSHDSACASA-N 0 3 194.322 2.704 10 30 AFEEHN C=CCCC[C@H](NC)c1ccccn1 70594270 571677945 /nfs/dbraw/zinc/67/79/45/571677945.db2.gz ALYAGUOALGEFHU-NSHDSACASA-N 0 3 190.290 2.698 10 30 AFEEHN CC[N-][N+](=O)c1ccccc1N=[N+]=[N-] 687749618 571943317 /nfs/dbraw/zinc/94/33/17/571943317.db2.gz PIAVBXZEKYPKFY-UHFFFAOYSA-N 0 3 192.202 2.563 10 30 AFEEHN CCC(C#N)C(=O)c1ccc(Cl)o1 233972791 571942838 /nfs/dbraw/zinc/94/28/38/571942838.db2.gz CUCSVJDEWMWSRS-ZCFIWIBFSA-N 0 3 197.621 2.665 10 30 AFEEHN C=CC[C@H](C)[C@@H](N)c1cnc(C)s1 715812630 573465047 /nfs/dbraw/zinc/46/50/47/573465047.db2.gz MDBKGTKNABDAGQ-OIBJUYFYSA-N 0 3 196.319 2.664 10 30 AFEEHN CC#C[C@@](C)(N)c1ccc(Cl)cc1 687694753 571978014 /nfs/dbraw/zinc/97/80/14/571978014.db2.gz COCDKEZPSIOILI-LLVKDONJSA-N 0 3 193.677 2.537 10 30 AFEEHN CC#C[C@](C)(N)c1ccc(Cl)cc1 687694754 571978097 /nfs/dbraw/zinc/97/80/97/571978097.db2.gz COCDKEZPSIOILI-NSHDSACASA-N 0 3 193.677 2.537 10 30 AFEEHN C#CCCNCc1ccsc1Cl 312620434 571988517 /nfs/dbraw/zinc/98/85/17/571988517.db2.gz VRRCVRHMFOBGLG-UHFFFAOYSA-N 0 3 199.706 2.514 10 30 AFEEHN C=CCN[C@@H](C)c1ccc(F)cc1C 393456940 572018443 /nfs/dbraw/zinc/01/84/43/572018443.db2.gz JPXMJIFYVIHYEA-JTQLQIEISA-N 0 3 193.265 2.971 10 30 AFEEHN CCCCN(C1CC1)[C@@H](CC)CC#N 42490326 572024226 /nfs/dbraw/zinc/02/42/26/572024226.db2.gz IOWMBDZOMIOAGM-NSHDSACASA-N 0 3 194.322 2.943 10 30 AFEEHN C=CCC[C@H](N)c1sc(C)nc1C 235831261 572024578 /nfs/dbraw/zinc/02/45/78/572024578.db2.gz VQLJYVRLYQYMJR-VIFPVBQESA-N 0 3 196.319 2.726 10 30 AFEEHN CC[C@H](N)C(=O)C1=CCCCCCC1 234032651 572036419 /nfs/dbraw/zinc/03/64/19/572036419.db2.gz GKXCUJOCBJOTCW-NSHDSACASA-N 0 3 195.306 2.573 10 30 AFEEHN CC[C@H](CC#N)N(C)CC1CCCC1 82492381 572041885 /nfs/dbraw/zinc/04/18/85/572041885.db2.gz WWEPTYNHKFDEQB-GFCCVEGCSA-N 0 3 194.322 2.801 10 30 AFEEHN Cc1ccc([C@H](CCS)N(C)C)o1 259470181 573493136 /nfs/dbraw/zinc/49/31/36/573493136.db2.gz KDVVWTBUAJDYOO-VIFPVBQESA-N 0 3 199.319 2.511 10 30 AFEEHN CC[C@H]1CCCC[C@H]1N(C)CCC#N 82657757 572071912 /nfs/dbraw/zinc/07/19/12/572071912.db2.gz SPAOWGOXNYFCSD-NWDGAFQWSA-N 0 3 194.322 2.801 10 30 AFEEHN C[C@@H]1CC(NC[C@@H](C)C#N)C[C@H](C)C1 82830490 572129741 /nfs/dbraw/zinc/12/97/41/572129741.db2.gz DHMDYBLYNBYNTH-PSIUFMSWSA-N 0 3 194.322 2.560 10 30 AFEEHN CC1(C)C[C@H](C#N)CN1C1CCCC1 259472475 573493790 /nfs/dbraw/zinc/49/37/90/573493790.db2.gz QWRYUDBDQLHBNS-SNVBAGLBSA-N 0 3 192.306 2.553 10 30 AFEEHN CC[C@@H](CC#N)N(CC)[C@H](C)CC 37113055 572096959 /nfs/dbraw/zinc/09/69/59/572096959.db2.gz RFMSITSHMTWMCU-MNOVXSKESA-N 0 3 182.311 2.799 10 30 AFEEHN C#C[C@@H](NCC)c1sccc1CC 130245639 573498309 /nfs/dbraw/zinc/49/83/09/573498309.db2.gz LRDWRDMMWFNYBZ-SNVBAGLBSA-N 0 3 193.315 2.594 10 30 AFEEHN CCC(CC)N(CC)C[C@@H](C)C#N 87157211 572379695 /nfs/dbraw/zinc/37/96/95/572379695.db2.gz ZEYCRFBIWJWJIV-JTQLQIEISA-N 0 3 182.311 2.657 10 30 AFEEHN CCC(CC)N(CC)C[C@H](C)C#N 87157213 572379712 /nfs/dbraw/zinc/37/97/12/572379712.db2.gz ZEYCRFBIWJWJIV-SNVBAGLBSA-N 0 3 182.311 2.657 10 30 AFEEHN CC[NH2+][C@H](C)[C@@H]([S-])c1ccccc1 238271274 572498181 /nfs/dbraw/zinc/49/81/81/572498181.db2.gz AJTQJWJRFPKNKF-MWLCHTKSSA-N 0 3 195.331 2.656 10 30 AFEEHN C[C@H](N[C@H](C)[C@H](C)C#N)C1CCCC1 308603567 573518850 /nfs/dbraw/zinc/51/88/50/573518850.db2.gz BGMNQECPLUJQSV-MXWKQRLJSA-N 0 3 194.322 2.703 10 30 AFEEHN C[C@H](C#N)[C@@H](C)N[C@H](C)C1CCCC1 308603559 573518944 /nfs/dbraw/zinc/51/89/44/573518944.db2.gz BGMNQECPLUJQSV-GMTAPVOTSA-N 0 3 194.322 2.703 10 30 AFEEHN C=C(Cl)CN1C[C@H](C)CC[C@@H]1C 306553943 572680636 /nfs/dbraw/zinc/68/06/36/572680636.db2.gz JRGGWWNNLUNSAK-SCZZXKLOSA-N 0 3 187.714 2.859 10 30 AFEEHN C=C(C)[C@H](N)c1ccc(C)cc1OC 234797067 572683920 /nfs/dbraw/zinc/68/39/20/572683920.db2.gz AJGLWWLYESBRRF-LBPRGKRZSA-N 0 3 191.274 2.580 10 30 AFEEHN CCCCN1CCC[C@H](C#N)C1(C)C 259493256 573536486 /nfs/dbraw/zinc/53/64/86/573536486.db2.gz SFPJJPPDHUQMLR-LLVKDONJSA-N 0 3 194.322 2.801 10 30 AFEEHN CN[C@H](CCC#N)c1ccccc1C 259118322 573549176 /nfs/dbraw/zinc/54/91/76/573549176.db2.gz BDAIREHZZZEWTD-GFCCVEGCSA-N 0 3 188.274 2.559 10 30 AFEEHN C=CC[C@H](N)c1c(F)cc(C)cc1F 307717427 572798165 /nfs/dbraw/zinc/79/81/65/572798165.db2.gz MWJWXYPTOUGZGC-JTQLQIEISA-N 0 3 197.228 2.849 10 30 AFEEHN C=C(C)[C@H](NCC)c1cccs1 86024825 572844367 /nfs/dbraw/zinc/84/43/67/572844367.db2.gz PRGVRQFUUGVNOT-JTQLQIEISA-N 0 3 181.304 2.975 10 30 AFEEHN C#CC[C@@H](NC)c1csc(C)c1C 306938955 572844815 /nfs/dbraw/zinc/84/48/15/572844815.db2.gz KFNJIJCWOOIDBU-LLVKDONJSA-N 0 3 193.315 2.649 10 30 AFEEHN C=C(C)[C@H](NC)c1ccc(OC)cc1 86024203 572844990 /nfs/dbraw/zinc/84/49/90/572844990.db2.gz AOWFJAFFYPPKHO-LBPRGKRZSA-N 0 3 191.274 2.532 10 30 AFEEHN C=C[C@@H]1CC[C@@H](c2ccccc2C#N)N1 238113524 572937893 /nfs/dbraw/zinc/93/78/93/572937893.db2.gz SBRALUXKWJGFMF-YPMHNXCESA-N 0 3 198.269 2.537 10 30 AFEEHN C=C[C@H](NCC)c1ccc(F)cc1C 88124540 572968060 /nfs/dbraw/zinc/96/80/60/572968060.db2.gz YQKQOUGUZMZGKJ-LBPRGKRZSA-N 0 3 193.265 2.971 10 30 AFEEHN C[C@@H](C#N)CN1CCCC(C)(C)CC1 83680496 573591426 /nfs/dbraw/zinc/59/14/26/573591426.db2.gz RPPINYSRTLRDSJ-NSHDSACASA-N 0 3 194.322 2.658 10 30 AFEEHN CC[C@@H](C#N)[C@H](C1CCCC1)N(C)C 259319775 573051402 /nfs/dbraw/zinc/05/14/02/573051402.db2.gz XRWRRXAZPLBOII-CMPLNLGQSA-N 0 3 194.322 2.657 10 30 AFEEHN CC(C)N(CCC#N)CC1(C)CCC1 308492384 573063193 /nfs/dbraw/zinc/06/31/93/573063193.db2.gz AJLYYSZRHGBGGE-UHFFFAOYSA-N 0 3 194.322 2.801 10 30 AFEEHN CC[C@H](CN[C@@H](C)CC#N)C(C)C 308246956 573068022 /nfs/dbraw/zinc/06/80/22/573068022.db2.gz WUJFGROAWCVRAW-WDEREUQCSA-N 0 3 182.311 2.560 10 30 AFEEHN CCN([C@@H](C)CC#N)[C@@H](C)C(C)C 308500700 573090978 /nfs/dbraw/zinc/09/09/78/573090978.db2.gz WOAATBJBBTYHIA-QWRGUYRKSA-N 0 3 182.311 2.655 10 30 AFEEHN CCN([C@H](C)CC#N)[C@H](C)C(C)C 308500698 573092747 /nfs/dbraw/zinc/09/27/47/573092747.db2.gz WOAATBJBBTYHIA-GHMZBOCLSA-N 0 3 182.311 2.655 10 30 AFEEHN CC[C@@H](C)[C@@H](N)c1ccccc1C#N 306853613 573121485 /nfs/dbraw/zinc/12/14/85/573121485.db2.gz UIWSSJFDHGAVQM-BXKDBHETSA-N 0 3 188.274 2.604 10 30 AFEEHN C[C@H](C#N)CNCCCC(C)(C)C 313470326 573183184 /nfs/dbraw/zinc/18/31/84/573183184.db2.gz MYPIXARRYFMEPT-SNVBAGLBSA-N 0 3 182.311 2.562 10 30 AFEEHN CC[C@@H](C(C)C)N(C)C[C@H](C)C#N 308308547 573211690 /nfs/dbraw/zinc/21/16/90/573211690.db2.gz PRARBOBHQXYXSH-MNOVXSKESA-N 0 3 182.311 2.512 10 30 AFEEHN C=C(C)[C@H](NC)c1cccc(F)c1 86024632 573236794 /nfs/dbraw/zinc/23/67/94/573236794.db2.gz QMGOWKDGVCXPFD-NSHDSACASA-N 0 3 179.238 2.662 10 30 AFEEHN C=C(C)[C@H](N)c1ccc(C)c(F)c1 86025420 573236859 /nfs/dbraw/zinc/23/68/59/573236859.db2.gz MLJLDLICLYQFTE-NSHDSACASA-N 0 3 179.238 2.710 10 30 AFEEHN CCC(C)(C)CN[C@H](C)[C@H](C)C#N 308322004 573250730 /nfs/dbraw/zinc/25/07/30/573250730.db2.gz ZGWXLDPVQPBZIA-NXEZZACHSA-N 0 3 182.311 2.560 10 30 AFEEHN C=C[C@H](N)c1cc2cccc(C)c2[nH]1 238456842 573600515 /nfs/dbraw/zinc/60/05/15/573600515.db2.gz JLOZNDHHNYHKKM-JTQLQIEISA-N 0 3 186.258 2.662 10 30 AFEEHN C#C[C@H](NCC=C(C)C)C(C)(C)C 308322080 573250207 /nfs/dbraw/zinc/25/02/07/573250207.db2.gz BXSWRMJFONJFPR-NSHDSACASA-N 0 3 179.307 2.590 10 30 AFEEHN C=CC[C@H](C)C(=O)[C@@H](N)CC(C)(C)C 715756996 573289705 /nfs/dbraw/zinc/28/97/05/573289705.db2.gz MSXQGCSQSVDQGK-UWVGGRQHSA-N 0 3 197.322 2.531 10 30 AFEEHN C=CC[C@@H](C)C(=O)[C@@H](N)CC(C)(C)C 715757000 573289823 /nfs/dbraw/zinc/28/98/23/573289823.db2.gz MSXQGCSQSVDQGK-ZJUUUORDSA-N 0 3 197.322 2.531 10 30 AFEEHN CCCC(C)(C)N[C@@H]1CCC[C@@H]1C#N 126128516 573363807 /nfs/dbraw/zinc/36/38/07/573363807.db2.gz LBULOPTYZMLSEJ-GHMZBOCLSA-N 0 3 194.322 2.847 10 30 AFEEHN CCCC(C)(C)N[C@H]1CCC[C@H]1C#N 126129150 573363612 /nfs/dbraw/zinc/36/36/12/573363612.db2.gz LBULOPTYZMLSEJ-QWRGUYRKSA-N 0 3 194.322 2.847 10 30 AFEEHN CC(C)CN1CCC(C)(C)[C@@H](C#N)C1 259099142 573368963 /nfs/dbraw/zinc/36/89/63/573368963.db2.gz AHDWJXYZFJMHQT-NSHDSACASA-N 0 3 194.322 2.514 10 30 AFEEHN C=C[C@H](C)[C@@H](N)c1cc(F)ccc1F 238370331 573368333 /nfs/dbraw/zinc/36/83/33/573368333.db2.gz KBMJHCVGIISXTQ-WRWORJQWSA-N 0 3 197.228 2.787 10 30 AFEEHN CC(C)CN1CCC(C)(C)[C@H](C#N)C1 259099140 573369904 /nfs/dbraw/zinc/36/99/04/573369904.db2.gz AHDWJXYZFJMHQT-LLVKDONJSA-N 0 3 194.322 2.514 10 30 AFEEHN C=C[C@H](C)[C@H](N)c1cccc(F)c1F 238373462 573380886 /nfs/dbraw/zinc/38/08/86/573380886.db2.gz ULSPSCDZJLPTIE-CPCISQLKSA-N 0 3 197.228 2.787 10 30 AFEEHN C=CC[C@H](NCC)c1occc1C 133195513 573382347 /nfs/dbraw/zinc/38/23/47/573382347.db2.gz ULJZWBDTZGFFPP-JTQLQIEISA-N 0 3 179.263 2.815 10 30 AFEEHN C=CC[C@H](C)[C@H](N)c1cccc(C)n1 715787338 573383296 /nfs/dbraw/zinc/38/32/96/573383296.db2.gz WAYUHVCTUTVMFX-CABZTGNLSA-N 0 3 190.290 2.602 10 30 AFEEHN C=CC[C@@H](C)[C@H](N)c1cccc(C)n1 715787347 573383642 /nfs/dbraw/zinc/38/36/42/573383642.db2.gz WAYUHVCTUTVMFX-SKDRFNHKSA-N 0 3 190.290 2.602 10 30 AFEEHN C=C[C@@H](NCCC)c1occc1C 133287317 573392373 /nfs/dbraw/zinc/39/23/73/573392373.db2.gz MAQDTGJHCHCHIV-SNVBAGLBSA-N 0 3 179.263 2.815 10 30 AFEEHN C=CCN[C@H](C)c1sc(C)nc1C 50522037 573441920 /nfs/dbraw/zinc/44/19/20/573441920.db2.gz UFPRABYWFOAZPX-SSDOTTSWSA-N 0 3 196.319 2.597 10 30 AFEEHN C=C(C)C(C)(C)[C@@H]1NC[C@@H](C)S1 238404298 573461443 /nfs/dbraw/zinc/46/14/43/573461443.db2.gz LSQUDSFRUOTOAF-RKDXNWHRSA-N 0 3 185.336 2.640 10 30 AFEEHN C#C[C@@H](NCC)c1ccc(CC)s1 130203137 573481400 /nfs/dbraw/zinc/48/14/00/573481400.db2.gz GHXYGPDULPSGEQ-SNVBAGLBSA-N 0 3 193.315 2.594 10 30 AFEEHN CC(C)(C)N1C[C@@H](C#N)CCC1(C)C 259468970 573481151 /nfs/dbraw/zinc/48/11/51/573481151.db2.gz QPPVYJNPBXRKFJ-SNVBAGLBSA-N 0 3 194.322 2.799 10 30 AFEEHN CC(C)[C@H](C#N)CN(C)C(C)(C)C 259110795 573508533 /nfs/dbraw/zinc/50/85/33/573508533.db2.gz XPVORTDUAYGZAU-SNVBAGLBSA-N 0 3 182.311 2.512 10 30 AFEEHN C(=N\CCc1ccccc1)\c1ccc[nH]1 308613550 573523583 /nfs/dbraw/zinc/52/35/83/573523583.db2.gz LTCTYXQPSIBVGY-KAMYIIQDSA-N 0 3 198.269 2.676 10 30 AFEEHN CCC(CC)[C@H](C)N[C@H](C)[C@H](C)C#N 308618854 573544719 /nfs/dbraw/zinc/54/47/19/573544719.db2.gz SJYMTUXNLLTUPX-MXWKQRLJSA-N 0 3 196.338 2.949 10 30 AFEEHN CC(C)C[C@@H]1[C@H](C#N)CCN1C(C)C 259615672 573575530 /nfs/dbraw/zinc/57/55/30/573575530.db2.gz HAHNZHOJSPNFTC-NWDGAFQWSA-N 0 3 194.322 2.655 10 30 AFEEHN C[C@H](C#N)CN1CCCC(C)(C)CC1 83680494 573589293 /nfs/dbraw/zinc/58/92/93/573589293.db2.gz RPPINYSRTLRDSJ-LLVKDONJSA-N 0 3 194.322 2.658 10 30 AFEEHN C=C[C@@H](NC)c1sccc1CC 130563198 573599346 /nfs/dbraw/zinc/59/93/46/573599346.db2.gz UDFCOEPOMHGQHZ-SECBINFHSA-N 0 3 181.304 2.757 10 30 AFEEHN C=C[C@@H](NC)c1ccc(OCC)cc1 130608735 573614274 /nfs/dbraw/zinc/61/42/74/573614274.db2.gz UIMVQLZBZZVPBM-GFCCVEGCSA-N 0 3 191.274 2.532 10 30 AFEEHN C=C[C@H](N)c1cc2c(C)cccc2[nH]1 238451121 573616225 /nfs/dbraw/zinc/61/62/25/573616225.db2.gz BJCNRPZFCFKKFN-JTQLQIEISA-N 0 3 186.258 2.662 10 30 AFEEHN C=C[C@H](NCC)c1cc(C)oc1C 130617726 573616607 /nfs/dbraw/zinc/61/66/07/573616607.db2.gz LPPLDADUMYFFRV-NSHDSACASA-N 0 3 179.263 2.733 10 30 AFEEHN CC(C)C[C@H](CC#N)NC[C@@H]1C[C@H]1C 308642575 573616976 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CC(C)[C@H](C#N)[C@@H](N)C1CCCCC1 259145936 573640215 /nfs/dbraw/zinc/64/02/15/573640215.db2.gz BIGNCRUWWKPJSV-RYUDHWBXSA-N 0 3 194.322 2.690 10 30 AFEEHN C=C[C@H](NCCC)c1ccc(C)o1 130648724 573640643 /nfs/dbraw/zinc/64/06/43/573640643.db2.gz CWAJCORXGKZURP-JTQLQIEISA-N 0 3 179.263 2.815 10 30 AFEEHN CC(C)[C@@H](C#N)[C@@H](N)C1CCCCC1 259145932 573640711 /nfs/dbraw/zinc/64/07/11/573640711.db2.gz BIGNCRUWWKPJSV-NEPJUHHUSA-N 0 3 194.322 2.690 10 30 AFEEHN CC(C)[C@@H](C#N)[C@H](N)C1CCCCC1 259145938 573640752 /nfs/dbraw/zinc/64/07/52/573640752.db2.gz BIGNCRUWWKPJSV-VXGBXAGGSA-N 0 3 194.322 2.690 10 30 AFEEHN CC[C@@H](C)N1C[C@@H](C#N)CCC1(C)C 259539724 573647162 /nfs/dbraw/zinc/64/71/62/573647162.db2.gz WNUZRFGJBNFUJB-GHMZBOCLSA-N 0 3 194.322 2.799 10 30 AFEEHN CC(C)(C)[C@H](CC#N)N1CCCCC1 259539117 573647645 /nfs/dbraw/zinc/64/76/45/573647645.db2.gz CJZSLFVMHPMZAC-NSHDSACASA-N 0 3 194.322 2.801 10 30 AFEEHN CC[C@H](C)N1C[C@H](C#N)CCC1(C)C 259539733 573648900 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CC[C@H](CC#N)N(CC1CC1)C(C)C 42582883 573983597 /nfs/dbraw/zinc/98/35/97/573983597.db2.gz VOEJRQJTBLOLKK-GFCCVEGCSA-N 0 3 194.322 2.799 10 30 AFEEHN CCC1(CC)CCCC(C#N)C1=O 238224758 573983708 /nfs/dbraw/zinc/98/37/08/573983708.db2.gz NEEQGVBGPIPALN-SECBINFHSA-N 0 3 179.263 2.686 10 30 AFEEHN CC[C@@H]1CCCC[C@@H]1NC[C@@H](C)C#N 42578738 573983814 /nfs/dbraw/zinc/98/38/14/573983814.db2.gz BSZOPEWQGJHPPP-TUAOUCFPSA-N 0 3 194.322 2.704 10 30 AFEEHN CCC[C@@H](N)c1cc(C)ccc1C#N 238230223 573989111 /nfs/dbraw/zinc/98/91/11/573989111.db2.gz FLWJZOLSSCMKQG-GFCCVEGCSA-N 0 3 188.274 2.667 10 30 AFEEHN CC(C)(C)N1CCC[C@H](C#N)C1(C)C 259263418 573995169 /nfs/dbraw/zinc/99/51/69/573995169.db2.gz FTILBCPXJRNZSP-SNVBAGLBSA-N 0 3 194.322 2.799 10 30 AFEEHN C#CCC[C@@H](NC)c1ccc(CC)o1 127934057 573994749 /nfs/dbraw/zinc/99/47/49/573994749.db2.gz GUYVBNYINASYSB-LLVKDONJSA-N 0 3 191.274 2.516 10 30 AFEEHN CCC[C@@H](N)c1ccc(C)cc1C#N 238234739 573994964 /nfs/dbraw/zinc/99/49/64/573994964.db2.gz VZWGINJSSYSIRO-GFCCVEGCSA-N 0 3 188.274 2.667 10 30 AFEEHN CC[C@H](C)N1CCC(C)(C)[C@H](C#N)C1 259272351 574009211 /nfs/dbraw/zinc/00/92/11/574009211.db2.gz NVUSIQSHWNBBNO-WDEREUQCSA-N 0 3 194.322 2.657 10 30 AFEEHN CC1=C(C)C[C@]2(C#N)CCC[C@]2(N)C1 238246676 574009894 /nfs/dbraw/zinc/00/98/94/574009894.db2.gz HFQUTUFMWMPMFF-RYUDHWBXSA-N 0 3 190.290 2.508 10 30 AFEEHN CC[C@@H](C)N1CCC(C)(C)[C@@H](C#N)C1 259272347 574011048 /nfs/dbraw/zinc/01/10/48/574011048.db2.gz NVUSIQSHWNBBNO-MNOVXSKESA-N 0 3 194.322 2.657 10 30 AFEEHN CC[C@@H](C)N1CCC(C)(C)[C@H](C#N)C1 259272345 574011420 /nfs/dbraw/zinc/01/14/20/574011420.db2.gz NVUSIQSHWNBBNO-GHMZBOCLSA-N 0 3 194.322 2.657 10 30 AFEEHN CC1=C(C)C[C@]2(C#N)CCC[C@@]2(N)C1 238246667 574011760 /nfs/dbraw/zinc/01/17/60/574011760.db2.gz HFQUTUFMWMPMFF-NWDGAFQWSA-N 0 3 190.290 2.508 10 30 AFEEHN C=C[C@@H](N)c1cc(F)c(F)cc1CC 104503904 574017914 /nfs/dbraw/zinc/01/79/14/574017914.db2.gz IZBJIJKTGQCUEF-LLVKDONJSA-N 0 3 197.228 2.713 10 30 AFEEHN C=C[C@@H](N)c1cc(OC)ccc1Cl 104515721 574022267 /nfs/dbraw/zinc/02/22/67/574022267.db2.gz FRRIQJCQLYLPIY-SNVBAGLBSA-N 0 3 197.665 2.534 10 30 AFEEHN CCCCCN1C[C@H](C#N)CC1(C)C 259277553 574022303 /nfs/dbraw/zinc/02/23/03/574022303.db2.gz GILHJDRAXTVSFX-NSHDSACASA-N 0 3 194.322 2.801 10 30 AFEEHN N#CCC[C@H](N)c1ccc(Cl)cc1 259294549 574041566 /nfs/dbraw/zinc/04/15/66/574041566.db2.gz HVXYHMOARHOHLD-JTQLQIEISA-N 0 3 194.665 2.644 10 30 AFEEHN N#CCC[C@@H](N)c1ccc(Cl)cc1 259294552 574041737 /nfs/dbraw/zinc/04/17/37/574041737.db2.gz HVXYHMOARHOHLD-SNVBAGLBSA-N 0 3 194.665 2.644 10 30 AFEEHN CC[C@@H]1CC[C@@H](C)N1CC(C)(C)C#N 405143063 574047756 /nfs/dbraw/zinc/04/77/56/574047756.db2.gz GWPSPTCCAZVGIN-GHMZBOCLSA-N 0 3 194.322 2.799 10 30 AFEEHN C#CCN(C)Cc1ccc(C2CC2)cc1 1184116462 761553854 /nfs/dbraw/zinc/55/38/54/761553854.db2.gz YTRFDCJWMBQHLT-UHFFFAOYSA-N 0 3 199.297 2.629 10 30 AFEEHN CCCCN(CCC#N)C1CCCC1 1201713416 761808409 /nfs/dbraw/zinc/80/84/09/761808409.db2.gz IJTFWMDDBSKNCG-UHFFFAOYSA-N 0 3 194.322 2.945 10 30 AFEEHN CCCCCCCN1CC(CC#N)C1 1201761450 761811346 /nfs/dbraw/zinc/81/13/46/761811346.db2.gz FSUHUGJSUCRLFN-UHFFFAOYSA-N 0 3 194.322 2.802 10 30 AFEEHN CCCCCCCN(C)C1(C)COC1 1201787228 761811401 /nfs/dbraw/zinc/81/14/01/761811401.db2.gz AXOOABCGVOLAOS-UHFFFAOYSA-N 0 3 199.338 2.678 10 30 AFEEHN C=CCCCCN(CCC)CCC#N 1209202621 762290746 /nfs/dbraw/zinc/29/07/46/762290746.db2.gz LMRVDMPGABXQNJ-UHFFFAOYSA-N 0 3 194.322 2.968 10 30 AFEEHN C=CCCCCN1CC(C(F)F)C1 1209207693 762291709 /nfs/dbraw/zinc/29/17/09/762291709.db2.gz CBZNPVUDFMLMCE-UHFFFAOYSA-N 0 3 189.249 2.540 10 30 AFEEHN C=CCCCCCN1CC(CC#N)C1 1209422991 762313871 /nfs/dbraw/zinc/31/38/71/762313871.db2.gz BYDOGPJVYSMRNY-UHFFFAOYSA-N 0 3 192.306 2.578 10 30 AFEEHN CC[C@H]1CCCN([C@@H](CC)CC#N)C1 36169579 1169075109 /nfs/dbraw/zinc/07/51/09/1169075109.db2.gz VAONHPTVOCWKOJ-RYUDHWBXSA-N 0 3 194.322 2.801 10 30 AFEEHN CCCCCN(C)[C@H](CC)CC#N 37171618 1169076012 /nfs/dbraw/zinc/07/60/12/1169076012.db2.gz DEGYLFWOOSVTIL-LLVKDONJSA-N 0 3 182.311 2.801 10 30 AFEEHN CCCCCN(C)[C@@H](CC)CC#N 37171617 1169076652 /nfs/dbraw/zinc/07/66/52/1169076652.db2.gz DEGYLFWOOSVTIL-NSHDSACASA-N 0 3 182.311 2.801 10 30 AFEEHN CCCCN(CCC#N)[C@H](C)CC 47979300 1169091088 /nfs/dbraw/zinc/09/10/88/1169091088.db2.gz GBWAYUIAHUUNRS-LLVKDONJSA-N 0 3 182.311 2.801 10 30 AFEEHN CCCCN(CCC#N)[C@@H](C)CC 47979299 1169091674 /nfs/dbraw/zinc/09/16/74/1169091674.db2.gz GBWAYUIAHUUNRS-NSHDSACASA-N 0 3 182.311 2.801 10 30 AFEEHN N#C[C@H]1CCN(C2CCCCCC2)C1 84453584 1169118621 /nfs/dbraw/zinc/11/86/21/1169118621.db2.gz IFRHGGYWXDZYAL-LLVKDONJSA-N 0 3 192.306 2.555 10 30 AFEEHN N#C[C@@H]1CCN(C2CCCCCC2)C1 84453586 1169118883 /nfs/dbraw/zinc/11/88/83/1169118883.db2.gz IFRHGGYWXDZYAL-NSHDSACASA-N 0 3 192.306 2.555 10 30 AFEEHN C=CCNCc1cc(Cl)cs1 86331970 1169122374 /nfs/dbraw/zinc/12/23/74/1169122374.db2.gz AIKUHHYVKHUBFB-UHFFFAOYSA-N 0 3 187.695 2.677 10 30 AFEEHN CCN(CCC#N)C1CCCCCC1 110363828 1169145894 /nfs/dbraw/zinc/14/58/94/1169145894.db2.gz WQNTZWDOJQTGOU-UHFFFAOYSA-N 0 3 194.322 2.945 10 30 AFEEHN N#CCCNC1CC2(CCCCC2)C1 334982868 673949001 /nfs/dbraw/zinc/94/90/01/673949001.db2.gz UHPASQXXWJHBKI-UHFFFAOYSA-N 0 3 192.306 2.603 10 30 AFEEHN C=C(CC)CN[C@@H](C)c1ccns1 716055121 674023738 /nfs/dbraw/zinc/02/37/38/674023738.db2.gz NSDZYALWEQVAKS-VIFPVBQESA-N 0 3 196.319 2.760 10 30 AFEEHN C=C(CC)CN[C@H](C)c1ccns1 716055120 674024285 /nfs/dbraw/zinc/02/42/85/674024285.db2.gz NSDZYALWEQVAKS-SECBINFHSA-N 0 3 196.319 2.760 10 30 AFEEHN C=C(CC)CNCc1cc(C)co1 718106504 674059332 /nfs/dbraw/zinc/05/93/32/674059332.db2.gz BNFUWUUYCPOPGJ-UHFFFAOYSA-N 0 3 179.263 2.644 10 30 AFEEHN CC[C@@H]1CCCN([C@H](CC)CC#N)C1 218405555 1169341641 /nfs/dbraw/zinc/34/16/41/1169341641.db2.gz VAONHPTVOCWKOJ-VXGBXAGGSA-N 0 3 194.322 2.801 10 30 AFEEHN CCN(CCC#N)[C@H]1CCC[C@@H](C)C1 223982994 1169362884 /nfs/dbraw/zinc/36/28/84/1169362884.db2.gz WZLRGLLZTQNLAB-NEPJUHHUSA-N 0 3 194.322 2.801 10 30 AFEEHN CCCC[C@@H](CCC)NCCC#N 226403596 1169374970 /nfs/dbraw/zinc/37/49/70/1169374970.db2.gz XXXAIHIFWPCBPK-LLVKDONJSA-N 0 3 182.311 2.849 10 30 AFEEHN CCCC[C@H](CCC)NCCC#N 226403601 1169375307 /nfs/dbraw/zinc/37/53/07/1169375307.db2.gz XXXAIHIFWPCBPK-NSHDSACASA-N 0 3 182.311 2.849 10 30 AFEEHN CC[C@@H](CC#N)NC1(CC)CCC1 229488528 1169389638 /nfs/dbraw/zinc/38/96/38/1169389638.db2.gz JPMWTYAIFLDPKH-JTQLQIEISA-N 0 3 180.295 2.601 10 30 AFEEHN CC[C@H](CC#N)NC1(CC)CCC1 229488538 1169389774 /nfs/dbraw/zinc/38/97/74/1169389774.db2.gz JPMWTYAIFLDPKH-SNVBAGLBSA-N 0 3 180.295 2.601 10 30 AFEEHN CCCN(CCC#N)C1CCCC1 379411210 1169582241 /nfs/dbraw/zinc/58/22/41/1169582241.db2.gz HTDSMHPUMLHOJK-UHFFFAOYSA-N 0 3 180.295 2.555 10 30 AFEEHN CCCC(CCC)N(C)CCC#N 379411406 1169583646 /nfs/dbraw/zinc/58/36/46/1169583646.db2.gz IBWSBNAGUTWIAT-UHFFFAOYSA-N 0 3 182.311 2.801 10 30 AFEEHN CC[C@@H](CC#N)N[C@@H]1CC12CCCC2 387038464 1169616078 /nfs/dbraw/zinc/61/60/78/1169616078.db2.gz RFBBQXIZYARFMT-WDEREUQCSA-N 0 3 192.306 2.601 10 30 AFEEHN CC[C@@H](CC#N)N[C@H]1CC12CCCC2 387038463 1169616178 /nfs/dbraw/zinc/61/61/78/1169616178.db2.gz RFBBQXIZYARFMT-QWRGUYRKSA-N 0 3 192.306 2.601 10 30 AFEEHN CC[C@H](CC#N)N[C@@H]1CC12CCCC2 387038461 1169616857 /nfs/dbraw/zinc/61/68/57/1169616857.db2.gz RFBBQXIZYARFMT-GHMZBOCLSA-N 0 3 192.306 2.601 10 30 AFEEHN CC[C@H](CC#N)N[C@H]1CC12CCCC2 387038462 1169617694 /nfs/dbraw/zinc/61/76/94/1169617694.db2.gz RFBBQXIZYARFMT-MNOVXSKESA-N 0 3 192.306 2.601 10 30 AFEEHN CC[C@@H](CC#N)N1CCC12CCCC2 707325271 1169717347 /nfs/dbraw/zinc/71/73/47/1169717347.db2.gz FEEKJKFAGXIESQ-NSHDSACASA-N 0 3 192.306 2.697 10 30 AFEEHN C#CCCCNc1cc(C)cc(C)n1 708016969 1169717366 /nfs/dbraw/zinc/71/73/66/1169717366.db2.gz KGIBXSMATJLEBE-UHFFFAOYSA-N 0 3 188.274 2.524 10 30 AFEEHN CC[C@@H](CC#N)N1CCC2(CC1)CC2 707115465 1169718596 /nfs/dbraw/zinc/71/85/96/1169718596.db2.gz SUJPVAGCIWQGRQ-NSHDSACASA-N 0 3 192.306 2.555 10 30 AFEEHN CC[C@H](CC#N)N1CCC12CCCC2 707325270 1169718906 /nfs/dbraw/zinc/71/89/06/1169718906.db2.gz FEEKJKFAGXIESQ-LLVKDONJSA-N 0 3 192.306 2.697 10 30 AFEEHN CC[C@H](CC#N)N1CCC2(CC1)CC2 707115463 1169719209 /nfs/dbraw/zinc/71/92/09/1169719209.db2.gz SUJPVAGCIWQGRQ-LLVKDONJSA-N 0 3 192.306 2.555 10 30 AFEEHN C=C(C)CNc1cc(C)cc(C)n1 708019240 1169719362 /nfs/dbraw/zinc/71/93/62/1169719362.db2.gz SXUHYFYGHXBOMB-UHFFFAOYSA-N 0 3 176.263 2.686 10 30 AFEEHN CN(CCC#N)[C@H]1CCCC(C)(C)C1 708576289 1169722628 /nfs/dbraw/zinc/72/26/28/1169722628.db2.gz JINDJYRVGFDCOY-NSHDSACASA-N 0 3 194.322 2.801 10 30 AFEEHN CN(CCC#N)[C@@H]1CCCC(C)(C)C1 708576288 1169723082 /nfs/dbraw/zinc/72/30/82/1169723082.db2.gz JINDJYRVGFDCOY-LLVKDONJSA-N 0 3 194.322 2.801 10 30 AFEEHN CC[C@H](CC#N)NC1(CC2CC2)CC1 1255162825 1169908608 /nfs/dbraw/zinc/90/86/08/1169908608.db2.gz ZONRPKVYRKOOLK-LLVKDONJSA-N 0 3 192.306 2.601 10 30 AFEEHN CC[C@@H](CC#N)NC1(CC2CC2)CC1 1255162826 1169910431 /nfs/dbraw/zinc/91/04/31/1169910431.db2.gz ZONRPKVYRKOOLK-NSHDSACASA-N 0 3 192.306 2.601 10 30 AFEEHN CC[C@H](CC#N)N1CCCCC12CC2 1255176019 1169911297 /nfs/dbraw/zinc/91/12/97/1169911297.db2.gz UUHKFVJIDQJILD-LLVKDONJSA-N 0 3 192.306 2.697 10 30 AFEEHN CC[C@@H](CC#N)N1CCCCC12CC2 1255176020 1169911618 /nfs/dbraw/zinc/91/16/18/1169911618.db2.gz UUHKFVJIDQJILD-NSHDSACASA-N 0 3 192.306 2.697 10 30 AFEEHN CC[C@H](CC#N)N(C)C[C@@H]1CC1(C)C 1255173642 1169912350 /nfs/dbraw/zinc/91/23/50/1169912350.db2.gz CTJUILINAUDQJK-WDEREUQCSA-N 0 3 194.322 2.657 10 30 AFEEHN CC[C@H](CC#N)N(C)C[C@H]1CC1(C)C 1255173637 1169912457 /nfs/dbraw/zinc/91/24/57/1169912457.db2.gz CTJUILINAUDQJK-GHMZBOCLSA-N 0 3 194.322 2.657 10 30 AFEEHN CC[C@@H](CC#N)N(C)C[C@@H]1CC1(C)C 1255173641 1169913037 /nfs/dbraw/zinc/91/30/37/1169913037.db2.gz CTJUILINAUDQJK-QWRGUYRKSA-N 0 3 194.322 2.657 10 30 AFEEHN CC[C@@H](CC#N)N(C)C[C@H]1CC1(C)C 1255173640 1169913965 /nfs/dbraw/zinc/91/39/65/1169913965.db2.gz CTJUILINAUDQJK-MNOVXSKESA-N 0 3 194.322 2.657 10 30 AFEEHN CCCC[C@H](CC)N(C)CCC#N 1257419282 1170018995 /nfs/dbraw/zinc/01/89/95/1170018995.db2.gz VIIJQINPFYIHGU-NSHDSACASA-N 0 3 182.311 2.801 10 30 AFEEHN CCCC[C@@H](CC)N(C)CCC#N 1257419281 1170019018 /nfs/dbraw/zinc/01/90/18/1170019018.db2.gz VIIJQINPFYIHGU-LLVKDONJSA-N 0 3 182.311 2.801 10 30 AFEEHN CCCCC[C@@H](CC)NCCC#N 1258430824 1170064133 /nfs/dbraw/zinc/06/41/33/1170064133.db2.gz UGDUVCGPQGQSFQ-LLVKDONJSA-N 0 3 182.311 2.849 10 30 AFEEHN CCCCC[C@H](CC)NCCC#N 1258430825 1170065241 /nfs/dbraw/zinc/06/52/41/1170065241.db2.gz UGDUVCGPQGQSFQ-NSHDSACASA-N 0 3 182.311 2.849 10 30 AFEEHN CCCN(CCC#N)[C@H](C)CC1CC1 1258463119 1170075409 /nfs/dbraw/zinc/07/54/09/1170075409.db2.gz NEXMFTZAIORFLC-LLVKDONJSA-N 0 3 194.322 2.801 10 30 AFEEHN CCCN(CCC#N)[C@@H](C)CC1CC1 1258463120 1170075525 /nfs/dbraw/zinc/07/55/25/1170075525.db2.gz NEXMFTZAIORFLC-NSHDSACASA-N 0 3 194.322 2.801 10 30 AFEEHN C=CCN(C)Cc1ccccc1CF 1334799143 1170345101 /nfs/dbraw/zinc/34/51/01/1170345101.db2.gz RQYFQKPIISFYCE-UHFFFAOYSA-N 0 3 193.265 2.774 10 30 AFEEHN C=CCCCN(CC)CC1(C#N)CC1 1342385205 1170448394 /nfs/dbraw/zinc/44/83/94/1170448394.db2.gz GSIMRUTYWDBTMY-UHFFFAOYSA-N 0 3 192.306 2.578 10 30 AFEEHN C#CCN(C)Cc1cccc(C2CC2)c1 1474733822 1170600922 /nfs/dbraw/zinc/60/09/22/1170600922.db2.gz SIGMBEYPLCHKEP-UHFFFAOYSA-N 0 3 199.297 2.629 10 30 AFEEHN C=CC[C@@H]1CC[C@@H](N[C@@H](C)CC#N)C1 1651494509 1170887941 /nfs/dbraw/zinc/88/79/41/1170887941.db2.gz PSQPDBDGGOAYOD-QJPTWQEYSA-N 0 3 192.306 2.623 10 30 AFEEHN C=CC[C@@H]1CC[C@H](N[C@H](C)CC#N)C1 1651494511 1170888126 /nfs/dbraw/zinc/88/81/26/1170888126.db2.gz PSQPDBDGGOAYOD-UTUOFQBUSA-N 0 3 192.306 2.623 10 30 AFEEHN C=CC[C@@H]1CC[C@@H](N[C@H](C)CC#N)C1 1651494508 1170888314 /nfs/dbraw/zinc/88/83/14/1170888314.db2.gz PSQPDBDGGOAYOD-IJLUTSLNSA-N 0 3 192.306 2.623 10 30 AFEEHN C=CC[C@@H]1CC[C@H](N[C@@H](C)CC#N)C1 1651494510 1170890443 /nfs/dbraw/zinc/89/04/43/1170890443.db2.gz PSQPDBDGGOAYOD-TUAOUCFPSA-N 0 3 192.306 2.623 10 30 AFEEHN N#CCCNC1CCC2(CCC2)CC1 1651670782 1170892974 /nfs/dbraw/zinc/89/29/74/1170892974.db2.gz PPEZKYAVBWPRBY-UHFFFAOYSA-N 0 3 192.306 2.603 10 30 AFEEHN C=C(C)CN[C@@H](C)c1ncccc1C 1655075852 1170920239 /nfs/dbraw/zinc/92/02/39/1170920239.db2.gz AHSOBBOCCZNLMG-NSHDSACASA-N 0 3 190.290 2.617 10 30 AFEEHN C=C(C)CN[C@H](C)c1ncccc1C 1655075851 1170920686 /nfs/dbraw/zinc/92/06/86/1170920686.db2.gz AHSOBBOCCZNLMG-LLVKDONJSA-N 0 3 190.290 2.617 10 30 AFEEHN C#C[C@H](C)NCc1cccc2ccoc12 1659172351 1170940510 /nfs/dbraw/zinc/94/05/10/1170940510.db2.gz IHOFTYLVXMRWAT-JTQLQIEISA-N 0 3 199.253 2.544 10 30 AFEEHN C#C[C@@H](C)NCc1cccc2ccoc12 1659172356 1170941362 /nfs/dbraw/zinc/94/13/62/1170941362.db2.gz IHOFTYLVXMRWAT-SNVBAGLBSA-N 0 3 199.253 2.544 10 30 AFEEHN CC(C)(C)N1CCCCC[C@H]1CC#N 213809429 571672783 /nfs/dbraw/zinc/67/27/83/571672783.db2.gz CKARHWGTCTWHPS-NSHDSACASA-N 0 3 194.322 2.943 10 30 AFEEHN CC(C)(C)N1CCCCC[C@@H]1CC#N 213809368 571672929 /nfs/dbraw/zinc/67/29/29/571672929.db2.gz CKARHWGTCTWHPS-LLVKDONJSA-N 0 3 194.322 2.943 10 30 AFEEHN C=CCCCN(CCC#N)CC(C)C 70592543 571673933 /nfs/dbraw/zinc/67/39/33/571673933.db2.gz CXQPJILMDNUPKW-UHFFFAOYSA-N 0 3 194.322 2.824 10 30 AFEEHN C=CCCCN(CCC#N)C(C)C 70592539 571674279 /nfs/dbraw/zinc/67/42/79/571674279.db2.gz LUNMCXQUXVLBNW-UHFFFAOYSA-N 0 3 180.295 2.577 10 30 AFEEHN C=CCCC[C@@H](N)c1ncccc1C 70594736 571676093 /nfs/dbraw/zinc/67/60/93/571676093.db2.gz ORFVIAKDABRLQX-LLVKDONJSA-N 0 3 190.290 2.746 10 30 AFEEHN C=CCCC[C@H](N)c1ccco1 70594944 571676337 /nfs/dbraw/zinc/67/63/37/571676337.db2.gz ACGXEYQJYDEVHX-VIFPVBQESA-N 0 3 165.236 2.636 10 30 AFEEHN C=CCCC[C@@H](N)c1ccco1 70594945 571676426 /nfs/dbraw/zinc/67/64/26/571676426.db2.gz ACGXEYQJYDEVHX-SECBINFHSA-N 0 3 165.236 2.636 10 30 AFEEHN C=CCC[C@H](NC)c1ncccc1C 70594743 571676718 /nfs/dbraw/zinc/67/67/18/571676718.db2.gz PFJBOOOVEYRRRM-NSHDSACASA-N 0 3 190.290 2.617 10 30 AFEEHN C=CCC[C@@H](NC)c1ncccc1C 70594742 571676590 /nfs/dbraw/zinc/67/65/90/571676590.db2.gz PFJBOOOVEYRRRM-LLVKDONJSA-N 0 3 190.290 2.617 10 30 AFEEHN C=CCCC[C@@H](NC)c1ccco1 70594949 571676594 /nfs/dbraw/zinc/67/65/94/571676594.db2.gz SCQZEHOKESLUFR-SNVBAGLBSA-N 0 3 179.263 2.896 10 30 AFEEHN C=CCCC[C@H](NC)c1ccco1 70594948 571677063 /nfs/dbraw/zinc/67/70/63/571677063.db2.gz SCQZEHOKESLUFR-JTQLQIEISA-N 0 3 179.263 2.896 10 30 AFEEHN C=CCC[C@@H](NCC)c1ccccn1 70594277 571677691 /nfs/dbraw/zinc/67/76/91/571677691.db2.gz XCOYPZSZBIMAOJ-LLVKDONJSA-N 0 3 190.290 2.698 10 30 AFEEHN C=CCCC[C@H](N)c1ncccc1C 70594737 571677305 /nfs/dbraw/zinc/67/73/05/571677305.db2.gz ORFVIAKDABRLQX-NSHDSACASA-N 0 3 190.290 2.746 10 30 AFEEHN C=CCCC[C@@H](NC)c1ccccn1 70594271 571677330 /nfs/dbraw/zinc/67/73/30/571677330.db2.gz ALYAGUOALGEFHU-LLVKDONJSA-N 0 3 190.290 2.698 10 30 AFEEHN C=CCC[C@@H](NC)c1ccco1 70594951 571677376 /nfs/dbraw/zinc/67/73/76/571677376.db2.gz UGMGOQVXTJWOGL-SECBINFHSA-N 0 3 165.236 2.506 10 30 AFEEHN C=CCC[C@H](NC)c1ccco1 70594950 571677437 /nfs/dbraw/zinc/67/74/37/571677437.db2.gz UGMGOQVXTJWOGL-VIFPVBQESA-N 0 3 165.236 2.506 10 30 AFEEHN C=CCC[C@H](NCC)c1ccccn1 70594276 571678009 /nfs/dbraw/zinc/67/80/09/571678009.db2.gz XCOYPZSZBIMAOJ-NSHDSACASA-N 0 3 190.290 2.698 10 30 AFEEHN C=CCC[C@H](NC)c1cc(C)ccn1 70595179 571678601 /nfs/dbraw/zinc/67/86/01/571678601.db2.gz VILADSRBOWQNOS-NSHDSACASA-N 0 3 190.290 2.617 10 30 AFEEHN C=CCCC[C@H](N)c1cc(C)ccn1 70595173 571678615 /nfs/dbraw/zinc/67/86/15/571678615.db2.gz WOOSGROOGNVEGO-NSHDSACASA-N 0 3 190.290 2.746 10 30 AFEEHN C=CCC[C@H](NC)c1ccoc1 70595228 571678819 /nfs/dbraw/zinc/67/88/19/571678819.db2.gz IELSKHXCZFOMOV-JTQLQIEISA-N 0 3 165.236 2.506 10 30 AFEEHN C=CCC[C@H](NC)c1cccc(C)n1 70595123 571678895 /nfs/dbraw/zinc/67/88/95/571678895.db2.gz JFLCFAYQWPLHCT-NSHDSACASA-N 0 3 190.290 2.617 10 30 AFEEHN C=CCC[C@@H](NC)c1cccc(C)n1 70595122 571679471 /nfs/dbraw/zinc/67/94/71/571679471.db2.gz JFLCFAYQWPLHCT-LLVKDONJSA-N 0 3 190.290 2.617 10 30 AFEEHN C=CCC[C@@H](NC)c1ccoc1 70595229 571679633 /nfs/dbraw/zinc/67/96/33/571679633.db2.gz IELSKHXCZFOMOV-SNVBAGLBSA-N 0 3 165.236 2.506 10 30 AFEEHN C=CCC[C@@H](NC)c1cc(C)ccn1 70595178 571679710 /nfs/dbraw/zinc/67/97/10/571679710.db2.gz VILADSRBOWQNOS-LLVKDONJSA-N 0 3 190.290 2.617 10 30 AFEEHN C=CCCC[C@H](N)c1ccoc1 70595222 571679987 /nfs/dbraw/zinc/67/99/87/571679987.db2.gz OAZQNDHOUPIHCG-JTQLQIEISA-N 0 3 165.236 2.636 10 30 AFEEHN C=CCCC[C@@H](NC)c1ccoc1 70595227 571680069 /nfs/dbraw/zinc/68/00/69/571680069.db2.gz QNKRITPIEBVQHL-LLVKDONJSA-N 0 3 179.263 2.896 10 30 AFEEHN C=CCCC[C@@H](N)c1cc(C)ccn1 70595172 571680317 /nfs/dbraw/zinc/68/03/17/571680317.db2.gz WOOSGROOGNVEGO-LLVKDONJSA-N 0 3 190.290 2.746 10 30 AFEEHN C=CCCC[C@H](N)c1cccc(C)n1 70595117 571680466 /nfs/dbraw/zinc/68/04/66/571680466.db2.gz VPZAWLLKQUAYIK-NSHDSACASA-N 0 3 190.290 2.746 10 30 AFEEHN C=CCCC[C@@H](N)c1ccoc1 70595223 571680478 /nfs/dbraw/zinc/68/04/78/571680478.db2.gz OAZQNDHOUPIHCG-SNVBAGLBSA-N 0 3 165.236 2.636 10 30 AFEEHN C=CCCC[C@H](NC)c1ccoc1 70595226 571680671 /nfs/dbraw/zinc/68/06/71/571680671.db2.gz QNKRITPIEBVQHL-NSHDSACASA-N 0 3 179.263 2.896 10 30 AFEEHN C=CCCC[C@@H](N)c1cccc(C)n1 70595116 571680717 /nfs/dbraw/zinc/68/07/17/571680717.db2.gz VPZAWLLKQUAYIK-LLVKDONJSA-N 0 3 190.290 2.746 10 30 AFEEHN CC[C@H]1CCC[C@H](NC[C@@H](C)C#N)C1 70562942 571692969 /nfs/dbraw/zinc/69/29/69/571692969.db2.gz WZYJHXJRXRJZCM-SRVKXCTJSA-N 0 3 194.322 2.704 10 30 AFEEHN CC[C@H]1CCC[C@@H](NC[C@@H](C)C#N)C1 70562944 571693498 /nfs/dbraw/zinc/69/34/98/571693498.db2.gz WZYJHXJRXRJZCM-SDDRHHMPSA-N 0 3 194.322 2.704 10 30 AFEEHN C#CCCNCc1ccc(Cl)s1 70559399 571693667 /nfs/dbraw/zinc/69/36/67/571693667.db2.gz LDRPHLSVGDWXBO-UHFFFAOYSA-N 0 3 199.706 2.514 10 30 AFEEHN CC(C)CN(C)[C@H]1CCCC[C@@H]1C#N 37147189 571709828 /nfs/dbraw/zinc/70/98/28/571709828.db2.gz AVNSVQZUSQUEHZ-NEPJUHHUSA-N 0 3 194.322 2.657 10 30 AFEEHN CC(C)CN(C)[C@@H]1CCCC[C@@H]1C#N 37147188 571710440 /nfs/dbraw/zinc/71/04/40/571710440.db2.gz AVNSVQZUSQUEHZ-VXGBXAGGSA-N 0 3 194.322 2.657 10 30 AFEEHN CC[C@H](C)N(C)[C@@H]1CCCC[C@@H]1C#N 37147211 571710497 /nfs/dbraw/zinc/71/04/97/571710497.db2.gz RIQHNSUTCULGMX-QJPTWQEYSA-N 0 3 194.322 2.799 10 30 AFEEHN CC[C@@H](CC#N)N[C@H]1CC[C@@H](CC)C1 70644028 571717359 /nfs/dbraw/zinc/71/73/59/571717359.db2.gz CNMGBVHAUBDHLP-WOPDTQHZSA-N 0 3 194.322 2.847 10 30 AFEEHN CC[C@@H](CC#N)N[C@@H]1CC[C@@H](CC)C1 70644031 571718432 /nfs/dbraw/zinc/71/84/32/571718432.db2.gz CNMGBVHAUBDHLP-GRYCIOLGSA-N 0 3 194.322 2.847 10 30 AFEEHN CC(C)[C@@H](C#N)[C@H]1CCCCCN1C 214148618 571721946 /nfs/dbraw/zinc/72/19/46/571721946.db2.gz RAZGKGPHVSGOHI-VXGBXAGGSA-N 0 3 194.322 2.657 10 30 AFEEHN CC(C)[C@H](C#N)[C@@H]1CCCCCN1C 214148566 571722410 /nfs/dbraw/zinc/72/24/10/571722410.db2.gz RAZGKGPHVSGOHI-RYUDHWBXSA-N 0 3 194.322 2.657 10 30 AFEEHN CC(C)[C@H](C#N)[C@H]1CCCCCN1C 214148674 571722450 /nfs/dbraw/zinc/72/24/50/571722450.db2.gz RAZGKGPHVSGOHI-NWDGAFQWSA-N 0 3 194.322 2.657 10 30 AFEEHN CC(C)[C@@H](C#N)[C@@H]1CCCCCN1C 214148513 571722831 /nfs/dbraw/zinc/72/28/31/571722831.db2.gz RAZGKGPHVSGOHI-NEPJUHHUSA-N 0 3 194.322 2.657 10 30 AFEEHN C#C[C@H](c1ccccc1)N(CC)CC 140191368 571728440 /nfs/dbraw/zinc/72/84/40/571728440.db2.gz XWWGWDYUBCPNOG-CYBMUJFWSA-N 0 3 187.286 2.703 10 30 AFEEHN CCC(C#N)C(=O)c1ccoc1Cl 233836386 571734513 /nfs/dbraw/zinc/73/45/13/571734513.db2.gz AVROOGRSZXQKFL-LURJTMIESA-N 0 3 197.621 2.665 10 30 AFEEHN CCC(C#N)C(=O)c1ccc(Cl)o1 233835992 571735151 /nfs/dbraw/zinc/73/51/51/571735151.db2.gz CUCSVJDEWMWSRS-LURJTMIESA-N 0 3 197.621 2.665 10 30 AFEEHN C=C(Cl)CN[C@@H]1C[C@H]2CC[C@@H]1C2 70710990 571741777 /nfs/dbraw/zinc/74/17/77/571741777.db2.gz MFVOEGLUJQVQIG-IVZWLZJFSA-N 0 3 185.698 2.517 10 30 AFEEHN C=C(Cl)CN[C@H]1C[C@H]2CC[C@@H]1C2 70710991 571743656 /nfs/dbraw/zinc/74/36/56/571743656.db2.gz MFVOEGLUJQVQIG-AEJSXWLSSA-N 0 3 185.698 2.517 10 30 AFEEHN CC[C@H](CC#N)N(CC1CC1)C1CC1 70736544 571744383 /nfs/dbraw/zinc/74/43/83/571744383.db2.gz XKTJJLINJOFMEZ-LLVKDONJSA-N 0 3 192.306 2.553 10 30 AFEEHN CC[C@@H](CC#N)N(CC1CC1)C1CC1 70736543 571745650 /nfs/dbraw/zinc/74/56/50/571745650.db2.gz XKTJJLINJOFMEZ-NSHDSACASA-N 0 3 192.306 2.553 10 30 AFEEHN C#CCN[C@H]1c2ccccc2CC1(C)C 215195939 571755482 /nfs/dbraw/zinc/75/54/82/571755482.db2.gz NMMAFINXCRXSNU-ZDUSSCGKSA-N 0 3 199.297 2.533 10 30 AFEEHN C#CCN[C@@H]1c2ccccc2CC1(C)C 215195985 571755654 /nfs/dbraw/zinc/75/56/54/571755654.db2.gz NMMAFINXCRXSNU-CYBMUJFWSA-N 0 3 199.297 2.533 10 30 AFEEHN C#CCC[C@H](NC)c1ccoc1Cl 234446766 571762766 /nfs/dbraw/zinc/76/27/66/571762766.db2.gz VRMWSQWJZXKEMJ-VIFPVBQESA-N 0 3 197.665 2.607 10 30 AFEEHN C=C1CC[C@H](c2ccccc2)NC1 196092384 571770167 /nfs/dbraw/zinc/77/01/67/571770167.db2.gz WMRDPMFRDQUFJG-GFCCVEGCSA-N 0 3 173.259 2.667 10 30 AFEEHN C=CC[C@@H](NC)c1ncccc1Cl 234449271 571771412 /nfs/dbraw/zinc/77/14/12/571771412.db2.gz WUWFKUBMXWHXNU-SECBINFHSA-N 0 3 196.681 2.572 10 30 AFEEHN C=CC[C@@H](NC)c1ccc(Cl)o1 234448644 571773688 /nfs/dbraw/zinc/77/36/88/571773688.db2.gz ALALQQMDMDWYFO-SSDOTTSWSA-N 0 3 185.654 2.770 10 30 AFEEHN C=CC[C@@H](NC)c1ccoc1Cl 234449095 571773853 /nfs/dbraw/zinc/77/38/53/571773853.db2.gz SRAGEQZCSHAHHB-MRVPVSSYSA-N 0 3 185.654 2.770 10 30 AFEEHN CC#C[C@](C)(N)c1cc(C)ccc1C 687800312 571775936 /nfs/dbraw/zinc/77/59/36/571775936.db2.gz FWHGATGLJPVACL-ZDUSSCGKSA-N 0 3 187.286 2.501 10 30 AFEEHN CC#C[C@@](C)(N)c1cc(C)ccc1C 687800311 571777423 /nfs/dbraw/zinc/77/74/23/571777423.db2.gz FWHGATGLJPVACL-CYBMUJFWSA-N 0 3 187.286 2.501 10 30 AFEEHN N#CCC1(N2CCCC2)CCCCC1 1621759 571778054 /nfs/dbraw/zinc/77/80/54/571778054.db2.gz BQVZKCKWKFMSHC-UHFFFAOYSA-N 0 3 192.306 2.699 10 30 AFEEHN C=CCCCCCC(=O)C(C)(C)NC 234369710 571793652 /nfs/dbraw/zinc/79/36/52/571793652.db2.gz TXEQCEFJMQUVJZ-UHFFFAOYSA-N 0 3 197.322 2.690 10 30 AFEEHN CCCCN(C)[C@H]1CCCC[C@H]1C#N 249768866 571792313 /nfs/dbraw/zinc/79/23/13/571792313.db2.gz ALMHGDRLRCVCGS-RYUDHWBXSA-N 0 3 194.322 2.801 10 30 AFEEHN CCCCN(C)[C@@H]1CCCC[C@H]1C#N 249768859 571794633 /nfs/dbraw/zinc/79/46/33/571794633.db2.gz ALMHGDRLRCVCGS-NWDGAFQWSA-N 0 3 194.322 2.801 10 30 AFEEHN C#CCC[C@@H](NC)c1ccoc1Cl 234451658 571798412 /nfs/dbraw/zinc/79/84/12/571798412.db2.gz VRMWSQWJZXKEMJ-SECBINFHSA-N 0 3 197.665 2.607 10 30 AFEEHN C[C@H](C#N)CN(C)[C@H](C)C(C)(C)C 251087359 571799243 /nfs/dbraw/zinc/79/92/43/571799243.db2.gz JKJDKWPLUTWEHV-NXEZZACHSA-N 0 3 182.311 2.512 10 30 AFEEHN C#CCC[C@@H](NC)c1ccc(Cl)o1 234451221 571799733 /nfs/dbraw/zinc/79/97/33/571799733.db2.gz OKJJDPGYMJBEOG-MRVPVSSYSA-N 0 3 197.665 2.607 10 30 AFEEHN C[C@@H](C#N)CN(C)[C@H](C)C(C)(C)C 251087363 571800739 /nfs/dbraw/zinc/80/07/39/571800739.db2.gz JKJDKWPLUTWEHV-VHSXEESVSA-N 0 3 182.311 2.512 10 30 AFEEHN CCC[C@H](CC)N[C@H]1CCC[C@H]1C#N 251151464 571803678 /nfs/dbraw/zinc/80/36/78/571803678.db2.gz MYTSIZXAIJNEFK-SRVKXCTJSA-N 0 3 194.322 2.847 10 30 AFEEHN CCC[C@H](CC)N[C@@H]1CCC[C@H]1C#N 251151460 571802936 /nfs/dbraw/zinc/80/29/36/571802936.db2.gz MYTSIZXAIJNEFK-SDDRHHMPSA-N 0 3 194.322 2.847 10 30 AFEEHN CC[C@@H]1CCCN1[C@@H]1CCC[C@@H]1C#N 37913778 571814426 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/nfs/dbraw/zinc/02/20/05/572022005.db2.gz LWIFSSJMGSUOFK-CQSZACIVSA-N 0 3 199.297 2.590 10 30 AFEEHN CC[C@H](CC#N)NC[C@@H]1CCC[C@H]1C 300243320 572024277 /nfs/dbraw/zinc/02/42/77/572024277.db2.gz SDHZPPLNLWPTAT-GRYCIOLGSA-N 0 3 194.322 2.704 10 30 AFEEHN CC1CCC(N(C)[C@@H](C)CC#N)CC1 42487716 572025084 /nfs/dbraw/zinc/02/50/84/572025084.db2.gz FUQIAJCTHBXCHQ-CXQJBGSLSA-N 0 3 194.322 2.799 10 30 AFEEHN CC1CCC(N(C)[C@H](C)CC#N)CC1 42487717 572025500 /nfs/dbraw/zinc/02/55/00/572025500.db2.gz FUQIAJCTHBXCHQ-MOENNCHZSA-N 0 3 194.322 2.799 10 30 AFEEHN CC[C@H](CC#N)NC[C@H]1CCC[C@H]1C 300243321 572025550 /nfs/dbraw/zinc/02/55/50/572025550.db2.gz SDHZPPLNLWPTAT-IJLUTSLNSA-N 0 3 194.322 2.704 10 30 AFEEHN CCCCC(C#N)C(=O)C(C)C 238796567 572029657 /nfs/dbraw/zinc/02/96/57/572029657.db2.gz BYYFSXKNERPEOH-SECBINFHSA-N 0 3 167.252 2.541 10 30 AFEEHN C=CC[C@@H](NCC)c1cccc(C)n1 82451764 572030503 /nfs/dbraw/zinc/03/05/03/572030503.db2.gz BNKSIZWSYXBKKO-LLVKDONJSA-N 0 3 190.290 2.617 10 30 AFEEHN C#CCC[C@H](N)c1cc2ccccc2o1 82498751 572032209 /nfs/dbraw/zinc/03/22/09/572032209.db2.gz XGDSDXUDTYHSJB-NSHDSACASA-N 0 3 199.253 2.846 10 30 AFEEHN C#CCC[C@H](NCCC)c1ccco1 82498567 572032238 /nfs/dbraw/zinc/03/22/38/572032238.db2.gz UROAKPBVHJVVIE-NSHDSACASA-N 0 3 191.274 2.734 10 30 AFEEHN C#CCC[C@@H](NCCC)c1ccco1 82498569 572032492 /nfs/dbraw/zinc/03/24/92/572032492.db2.gz UROAKPBVHJVVIE-LLVKDONJSA-N 0 3 191.274 2.734 10 30 AFEEHN C#CCC[C@@H](N)c1cc2ccccc2o1 82498753 572032789 /nfs/dbraw/zinc/03/27/89/572032789.db2.gz XGDSDXUDTYHSJB-LLVKDONJSA-N 0 3 199.253 2.846 10 30 AFEEHN CC[C@H](CC#N)N(CC)C1CCCC1 35766118 572033020 /nfs/dbraw/zinc/03/30/20/572033020.db2.gz GFNUTCZLUMTCHS-LLVKDONJSA-N 0 3 194.322 2.943 10 30 AFEEHN CC[C@@H](CC#N)N(CC)C1CCCC1 35766117 572033833 /nfs/dbraw/zinc/03/38/33/572033833.db2.gz GFNUTCZLUMTCHS-NSHDSACASA-N 0 3 194.322 2.943 10 30 AFEEHN CC(C)CN(C[C@@H](C)C#N)C(C)C 42582759 572034707 /nfs/dbraw/zinc/03/47/07/572034707.db2.gz ZOPZRNZDWNZGKH-NSHDSACASA-N 0 3 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/nfs/dbraw/zinc/04/32/87/572043287.db2.gz ZDQLJHKKYXXAPX-HBNTYKKESA-N 0 3 199.725 2.765 10 30 AFEEHN C=C(Cl)CNC[C@@H]1C[C@H]2CC[C@@H]1C2 82527961 572043476 /nfs/dbraw/zinc/04/34/76/572043476.db2.gz ZDQLJHKKYXXAPX-AXFHLTTASA-N 0 3 199.725 2.765 10 30 AFEEHN C=CC[C@H](NC)c1cc(F)ccc1F 82516398 572044536 /nfs/dbraw/zinc/04/45/36/572044536.db2.gz SVKIXLXLASUXRY-NSHDSACASA-N 0 3 197.228 2.801 10 30 AFEEHN C=CCCC[C@@H](N)c1cnc(C)s1 235839352 572045473 /nfs/dbraw/zinc/04/54/73/572045473.db2.gz VVMKCTAAPOPSJS-SECBINFHSA-N 0 3 196.319 2.808 10 30 AFEEHN C=CC[C@@H](NC)c1cc(F)ccc1F 82516399 572045509 /nfs/dbraw/zinc/04/55/09/572045509.db2.gz SVKIXLXLASUXRY-LLVKDONJSA-N 0 3 197.228 2.801 10 30 AFEEHN C#CC[C@H](NCC)c1ccc(Cl)o1 233552439 572054056 /nfs/dbraw/zinc/05/40/56/572054056.db2.gz FUORHMVZWRDOAA-QMMMGPOBSA-N 0 3 197.665 2.607 10 30 AFEEHN C=C[C@H](C)N(C)Cc1ccccc1 34115616 572057570 /nfs/dbraw/zinc/05/75/70/572057570.db2.gz MDRYNXPPSNARPK-NSHDSACASA-N 0 3 175.275 2.693 10 30 AFEEHN CCCN(CCC)[C@@H](CC)CC#N 36677380 572059689 /nfs/dbraw/zinc/05/96/89/572059689.db2.gz LALDCWHNZVUEMF-NSHDSACASA-N 0 3 182.311 2.801 10 30 AFEEHN CCN(C[C@H](C)C#N)C1CCCCC1 36667817 572059772 /nfs/dbraw/zinc/05/97/72/572059772.db2.gz DLGGETJOCHZNMB-LLVKDONJSA-N 0 3 194.322 2.801 10 30 AFEEHN CCCCN(CC)[C@H](CC)CC#N 36677391 572059901 /nfs/dbraw/zinc/05/99/01/572059901.db2.gz KBXDASFHNKCVLH-LLVKDONJSA-N 0 3 182.311 2.801 10 30 AFEEHN CCCCN(CC)[C@@H](CC)CC#N 36677390 572060044 /nfs/dbraw/zinc/06/00/44/572060044.db2.gz KBXDASFHNKCVLH-NSHDSACASA-N 0 3 182.311 2.801 10 30 AFEEHN CCN(C[C@@H](C)C#N)C1CCCCC1 36667816 572060099 /nfs/dbraw/zinc/06/00/99/572060099.db2.gz DLGGETJOCHZNMB-NSHDSACASA-N 0 3 194.322 2.801 10 30 AFEEHN CCC(CC)N(C)[C@H]1CCC[C@@H]1C#N 36789050 572064120 /nfs/dbraw/zinc/06/41/20/572064120.db2.gz DEZGSDOQMHKPHP-PWSUYJOCSA-N 0 3 194.322 2.799 10 30 AFEEHN CC[C@@H](CC#N)N(C)[C@@H](C)C(C)C 36787331 572064875 /nfs/dbraw/zinc/06/48/75/572064875.db2.gz FQEGJFUEANBMMA-QWRGUYRKSA-N 0 3 182.311 2.655 10 30 AFEEHN CC[C@H](CC#N)N(C)[C@@H](C)C(C)C 36787332 572064972 /nfs/dbraw/zinc/06/49/72/572064972.db2.gz FQEGJFUEANBMMA-WDEREUQCSA-N 0 3 182.311 2.655 10 30 AFEEHN CCC(CC)N(C)[C@@H](CC)CC#N 36789104 572065727 /nfs/dbraw/zinc/06/57/27/572065727.db2.gz SJXWIFNEZUXNAH-NSHDSACASA-N 0 3 182.311 2.799 10 30 AFEEHN CCC(CC)N(C)[C@H](CC)CC#N 36789105 572066458 /nfs/dbraw/zinc/06/64/58/572066458.db2.gz SJXWIFNEZUXNAH-LLVKDONJSA-N 0 3 182.311 2.799 10 30 AFEEHN CCC(CC)N(C)[C@@H]1CCC[C@@H]1C#N 36789049 572067526 /nfs/dbraw/zinc/06/75/26/572067526.db2.gz DEZGSDOQMHKPHP-ZYHUDNBSSA-N 0 3 194.322 2.799 10 30 AFEEHN CCC[C@H](C)N(C)[C@@H](CC)CC#N 36790622 572068321 /nfs/dbraw/zinc/06/83/21/572068321.db2.gz VPCOXCKEIAYUHQ-QWRGUYRKSA-N 0 3 182.311 2.799 10 30 AFEEHN CCC[C@@H](C)N(C)[C@@H](CC)CC#N 36790621 572068672 /nfs/dbraw/zinc/06/86/72/572068672.db2.gz VPCOXCKEIAYUHQ-MNOVXSKESA-N 0 3 182.311 2.799 10 30 AFEEHN C=CC[C@H](NCC)c1cc(C)ccn1 82652916 572071225 /nfs/dbraw/zinc/07/12/25/572071225.db2.gz JVLSBZCFSFJPPB-NSHDSACASA-N 0 3 190.290 2.617 10 30 AFEEHN C=CC[C@@H](NCC)c1cc(C)ccn1 82652920 572071530 /nfs/dbraw/zinc/07/15/30/572071530.db2.gz JVLSBZCFSFJPPB-LLVKDONJSA-N 0 3 190.290 2.617 10 30 AFEEHN CC[C@H]1CCCC[C@@H]1N(C)CCC#N 82657755 572072478 /nfs/dbraw/zinc/07/24/78/572072478.db2.gz SPAOWGOXNYFCSD-RYUDHWBXSA-N 0 3 194.322 2.801 10 30 AFEEHN CC[C@@H]1CCCC[C@@H]1N(C)CCC#N 82657754 572072550 /nfs/dbraw/zinc/07/25/50/572072550.db2.gz SPAOWGOXNYFCSD-NEPJUHHUSA-N 0 3 194.322 2.801 10 30 AFEEHN C=C(Cl)CNCC1(C)CCCC1 82625554 572074535 /nfs/dbraw/zinc/07/45/35/572074535.db2.gz IAWDLHGVXXGKJL-UHFFFAOYSA-N 0 3 187.714 2.909 10 30 AFEEHN CC[C@@H](CC#N)NCC1(C)CCCC1 82625471 572074572 /nfs/dbraw/zinc/07/45/72/572074572.db2.gz LJUCLBLVSGMGRS-NSHDSACASA-N 0 3 194.322 2.849 10 30 AFEEHN CC[C@H](CC#N)NCC1(C)CCCC1 82625472 572075429 /nfs/dbraw/zinc/07/54/29/572075429.db2.gz LJUCLBLVSGMGRS-LLVKDONJSA-N 0 3 194.322 2.849 10 30 AFEEHN CC(C#N)C(=O)C[C@@H](C)C(C)(C)C 82628351 572076130 /nfs/dbraw/zinc/07/61/30/572076130.db2.gz WVUAABJNVSRFTG-RKDXNWHRSA-N 0 3 181.279 2.787 10 30 AFEEHN CC(C#N)C(=O)C[C@@H](C)C(C)(C)C 82628349 572076407 /nfs/dbraw/zinc/07/64/07/572076407.db2.gz WVUAABJNVSRFTG-DTWKUNHWSA-N 0 3 181.279 2.787 10 30 AFEEHN CCC(CC)[C@@H](C)NC[C@@H](C)C#N 82632686 572077655 /nfs/dbraw/zinc/07/76/55/572077655.db2.gz KNBNFVYZZFSHMI-VHSXEESVSA-N 0 3 182.311 2.560 10 30 AFEEHN CCC(CC)[C@H](C)NC[C@@H](C)C#N 82632688 572076991 /nfs/dbraw/zinc/07/69/91/572076991.db2.gz KNBNFVYZZFSHMI-UWVGGRQHSA-N 0 3 182.311 2.560 10 30 AFEEHN CCC(CC)[C@@H](C)N[C@H](C)CC#N 82632162 572077583 /nfs/dbraw/zinc/07/75/83/572077583.db2.gz KMDHNTLRZIGEIE-NXEZZACHSA-N 0 3 182.311 2.703 10 30 AFEEHN CCC(CC)[C@H](C)N[C@H](C)CC#N 82632164 572077642 /nfs/dbraw/zinc/07/76/42/572077642.db2.gz KMDHNTLRZIGEIE-ZJUUUORDSA-N 0 3 182.311 2.703 10 30 AFEEHN CCC(CC)[C@H](C)N[C@@H](C)CC#N 82632159 572077690 /nfs/dbraw/zinc/07/76/90/572077690.db2.gz KMDHNTLRZIGEIE-UWVGGRQHSA-N 0 3 182.311 2.703 10 30 AFEEHN CC(C#N)C(=O)C[C@H](C)C(C)(C)C 82628348 572077827 /nfs/dbraw/zinc/07/78/27/572077827.db2.gz WVUAABJNVSRFTG-IUCAKERBSA-N 0 3 181.279 2.787 10 30 AFEEHN CCC(CC)[C@H](C)NC[C@H](C)C#N 82637719 572079459 /nfs/dbraw/zinc/07/94/59/572079459.db2.gz KNBNFVYZZFSHMI-ZJUUUORDSA-N 0 3 182.311 2.560 10 30 AFEEHN CCC(CC)[C@@H](C)NC[C@H](C)C#N 82637718 572079518 /nfs/dbraw/zinc/07/95/18/572079518.db2.gz KNBNFVYZZFSHMI-NXEZZACHSA-N 0 3 182.311 2.560 10 30 AFEEHN C=CCNCc1ccnc2ccccc12 82665060 572079702 /nfs/dbraw/zinc/07/97/02/572079702.db2.gz RNFCPMSWWSYSIG-UHFFFAOYSA-N 0 3 198.269 2.510 10 30 AFEEHN CC[C@@H](CC#N)N1CCCC[C@H]1CC 37083308 572084960 /nfs/dbraw/zinc/08/49/60/572084960.db2.gz AJGDLFAZFRNGNP-NEPJUHHUSA-N 0 3 194.322 2.943 10 30 AFEEHN CC[C@H](CC#N)N(C)C1CCCC1 37092745 572086085 /nfs/dbraw/zinc/08/60/85/572086085.db2.gz QHLGTRDQOWHDHY-SNVBAGLBSA-N 0 3 180.295 2.553 10 30 AFEEHN CC[C@@H](CC#N)N1CCCC[C@@H]1CC 37083309 572086457 /nfs/dbraw/zinc/08/64/57/572086457.db2.gz AJGDLFAZFRNGNP-RYUDHWBXSA-N 0 3 194.322 2.943 10 30 AFEEHN CC[C@@H](CC#N)N(C)C1CCCC1 37092744 572086910 /nfs/dbraw/zinc/08/69/10/572086910.db2.gz QHLGTRDQOWHDHY-JTQLQIEISA-N 0 3 180.295 2.553 10 30 AFEEHN CCCN(C1CC1)[C@H](CC)CC#N 37097280 572090267 /nfs/dbraw/zinc/09/02/67/572090267.db2.gz QISDDWUXMYFALO-SNVBAGLBSA-N 0 3 180.295 2.553 10 30 AFEEHN CCCN(C(C)C)[C@H](CC)CC#N 37096138 572090918 /nfs/dbraw/zinc/09/09/18/572090918.db2.gz RRDHOMVZUMOZBK-LLVKDONJSA-N 0 3 182.311 2.799 10 30 AFEEHN CCCN(C1CC1)[C@@H](CC)CC#N 37097279 572090963 /nfs/dbraw/zinc/09/09/63/572090963.db2.gz QISDDWUXMYFALO-JTQLQIEISA-N 0 3 180.295 2.553 10 30 AFEEHN CCCN(C(C)C)[C@@H](CC)CC#N 37096137 572091782 /nfs/dbraw/zinc/09/17/82/572091782.db2.gz RRDHOMVZUMOZBK-NSHDSACASA-N 0 3 182.311 2.799 10 30 AFEEHN C[C@H](C#N)CNCC1(C)CCCCC1 235128935 572094181 /nfs/dbraw/zinc/09/41/81/572094181.db2.gz TVVKQDRRVWPDQA-LLVKDONJSA-N 0 3 194.322 2.706 10 30 AFEEHN CC[C@H](C)N(CC)[C@@H](CC)CC#N 37113056 572097118 /nfs/dbraw/zinc/09/71/18/572097118.db2.gz RFMSITSHMTWMCU-QWRGUYRKSA-N 0 3 182.311 2.799 10 30 AFEEHN CC[C@@H](CC#N)N(CC)CC(C)C 37111566 572097393 /nfs/dbraw/zinc/09/73/93/572097393.db2.gz VRXHONYTKHIBPN-NSHDSACASA-N 0 3 182.311 2.657 10 30 AFEEHN CC[C@H](CC#N)N(CC)CC(C)C 37111567 572098089 /nfs/dbraw/zinc/09/80/89/572098089.db2.gz VRXHONYTKHIBPN-LLVKDONJSA-N 0 3 182.311 2.657 10 30 AFEEHN CCCCN(CC)[C@@H]1CCC[C@@H]1C#N 37146097 572099974 /nfs/dbraw/zinc/09/99/74/572099974.db2.gz SHDHHXQYXSWRBE-VXGBXAGGSA-N 0 3 194.322 2.801 10 30 AFEEHN CCCCN(CC)[C@H]1CCC[C@@H]1C#N 37146098 572100357 /nfs/dbraw/zinc/10/03/57/572100357.db2.gz SHDHHXQYXSWRBE-NEPJUHHUSA-N 0 3 194.322 2.801 10 30 AFEEHN CC[C@H](C)CN(C)[C@@H](CC)CC#N 37173155 572103952 /nfs/dbraw/zinc/10/39/52/572103952.db2.gz YYMOSGBNBNTIOL-QWRGUYRKSA-N 0 3 182.311 2.657 10 30 AFEEHN CC[C@@H](CC#N)N(C)C[C@H](C)CC 37173154 572104055 /nfs/dbraw/zinc/10/40/55/572104055.db2.gz YYMOSGBNBNTIOL-MNOVXSKESA-N 0 3 182.311 2.657 10 30 AFEEHN C=C(C)CNCc1ccccc1CC 82774700 572107273 /nfs/dbraw/zinc/10/72/73/572107273.db2.gz KUECCXJGNXLZFY-UHFFFAOYSA-N 0 3 189.302 2.915 10 30 AFEEHN C=C(C)C[C@@H](NC)c1cnc(C)s1 234445059 572113409 /nfs/dbraw/zinc/11/34/09/572113409.db2.gz KWMZLWYLXJYHFF-SECBINFHSA-N 0 3 196.319 2.678 10 30 AFEEHN C=C(C)C[C@H](NC)c1cnc(C)s1 234445078 572114465 /nfs/dbraw/zinc/11/44/65/572114465.db2.gz KWMZLWYLXJYHFF-VIFPVBQESA-N 0 3 196.319 2.678 10 30 AFEEHN C[C@H](C#N)CN(C)C1CCCCCC1 35175798 572128014 /nfs/dbraw/zinc/12/80/14/572128014.db2.gz PJSBXUKICXVWIE-LLVKDONJSA-N 0 3 194.322 2.801 10 30 AFEEHN C=CCN[C@H](C)c1sccc1C 69635787 572128622 /nfs/dbraw/zinc/12/86/22/572128622.db2.gz MAHHOPBTWFZLQC-SECBINFHSA-N 0 3 181.304 2.893 10 30 AFEEHN C[C@@H]1CC(N(C)CCC#N)C[C@H](C)C1 82832721 572129556 /nfs/dbraw/zinc/12/95/56/572129556.db2.gz HXKHMIKNTRUFIF-FOSCPWQOSA-N 0 3 194.322 2.657 10 30 AFEEHN C[C@@H]1CC(N[C@@H](C)CC#N)C[C@H](C)C1 82829266 572130160 /nfs/dbraw/zinc/13/01/60/572130160.db2.gz XDKIGAAPRLBGMI-PSIUFMSWSA-N 0 3 194.322 2.703 10 30 AFEEHN C[C@@H](C#N)CNC1C[C@H](C)C[C@@H](C)C1 82830492 572131194 /nfs/dbraw/zinc/13/11/94/572131194.db2.gz DHMDYBLYNBYNTH-MXWKQRLJSA-N 0 3 194.322 2.560 10 30 AFEEHN C=C(Cl)CN[C@@H](CC)CC1CC1 69672370 572131535 /nfs/dbraw/zinc/13/15/35/572131535.db2.gz DDJAZRWYHDKHNL-JTQLQIEISA-N 0 3 187.714 2.907 10 30 AFEEHN C=C(Cl)CN[C@H](CC)CC1CC1 69672373 572131708 /nfs/dbraw/zinc/13/17/08/572131708.db2.gz DDJAZRWYHDKHNL-SNVBAGLBSA-N 0 3 187.714 2.907 10 30 AFEEHN CC[C@@H](CC#N)N[C@H](CC)CC1CC1 69673165 572133215 /nfs/dbraw/zinc/13/32/15/572133215.db2.gz KWVSIFYXLOVUFT-NWDGAFQWSA-N 0 3 194.322 2.847 10 30 AFEEHN C[C@H]1C[C@H](NC[C@@H](C)C#N)CC[C@H]1C 82837381 572133613 /nfs/dbraw/zinc/13/36/13/572133613.db2.gz FSRMQWHCVUJTGF-WHOHXGKFSA-N 0 3 194.322 2.560 10 30 AFEEHN CC[C@@H](CC1CC1)N[C@H](CC)CC#N 69673163 572133723 /nfs/dbraw/zinc/13/37/23/572133723.db2.gz KWVSIFYXLOVUFT-NEPJUHHUSA-N 0 3 194.322 2.847 10 30 AFEEHN CC[C@@H](CC#N)N[C@@H](CC)CC1CC1 69673160 572134167 /nfs/dbraw/zinc/13/41/67/572134167.db2.gz KWVSIFYXLOVUFT-RYUDHWBXSA-N 0 3 194.322 2.847 10 30 AFEEHN CC[C@H](CC#N)N[C@H](CC)CC1CC1 69673168 572134187 /nfs/dbraw/zinc/13/41/87/572134187.db2.gz KWVSIFYXLOVUFT-VXGBXAGGSA-N 0 3 194.322 2.847 10 30 AFEEHN C[C@H]1C[C@@H](NC[C@@H](C)C#N)CC[C@H]1C 82837379 572134401 /nfs/dbraw/zinc/13/44/01/572134401.db2.gz FSRMQWHCVUJTGF-USZNOCQGSA-N 0 3 194.322 2.560 10 30 AFEEHN C#CCCNCc1cc2ccccc2o1 69767521 572143422 /nfs/dbraw/zinc/14/34/22/572143422.db2.gz QKVCALNYRBUVSE-UHFFFAOYSA-N 0 3 199.253 2.546 10 30 AFEEHN C#CCCNc1ccnc2ccccc12 69790829 572144824 /nfs/dbraw/zinc/14/48/24/572144824.db2.gz IHHNSUOKARBQCY-UHFFFAOYSA-N 0 3 196.253 2.670 10 30 AFEEHN CC[C@H]1CCC[C@@H](N[C@@H](C)CC#N)C1 82847670 572152348 /nfs/dbraw/zinc/15/23/48/572152348.db2.gz KGHRVFHMADHNRQ-SDDRHHMPSA-N 0 3 194.322 2.847 10 30 AFEEHN C[C@@H](CC#N)N[C@H]1CC[C@@H](C)[C@@H](C)C1 82846365 572153018 /nfs/dbraw/zinc/15/30/18/572153018.db2.gz JPVLSLTXKNIBCW-RHYQMDGZSA-N 0 3 194.322 2.703 10 30 AFEEHN C[C@@H](CC#N)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 82846368 572153233 /nfs/dbraw/zinc/15/32/33/572153233.db2.gz JPVLSLTXKNIBCW-NOOOWODRSA-N 0 3 194.322 2.703 10 30 AFEEHN CC[C@H]1CCC[C@H](N[C@@H](C)CC#N)C1 82847668 572153822 /nfs/dbraw/zinc/15/38/22/572153822.db2.gz KGHRVFHMADHNRQ-SRVKXCTJSA-N 0 3 194.322 2.847 10 30 AFEEHN CC(C)CC(C#N)C(=O)C1CCCC1 43374837 572155802 /nfs/dbraw/zinc/15/58/02/572155802.db2.gz XBNKMVRIVFKXKB-NSHDSACASA-N 0 3 193.290 2.932 10 30 AFEEHN C[C@H]1CC[C@H](C)[C@H](NC[C@@H](C)C#N)C1 82859339 572156492 /nfs/dbraw/zinc/15/64/92/572156492.db2.gz PJTRTMGHBFEJNF-FIQHERPVSA-N 0 3 194.322 2.560 10 30 AFEEHN CC#CC[C@@H](NCCC)c1ccoc1 69947003 572162627 /nfs/dbraw/zinc/16/26/27/572162627.db2.gz SKLVOVLIKWPSID-GFCCVEGCSA-N 0 3 191.274 2.734 10 30 AFEEHN CC#CC[C@H](NCCC)c1ccoc1 69947001 572164476 /nfs/dbraw/zinc/16/44/76/572164476.db2.gz SKLVOVLIKWPSID-LBPRGKRZSA-N 0 3 191.274 2.734 10 30 AFEEHN C=CC[C@H](NCC)c1ccoc1 69946914 572164569 /nfs/dbraw/zinc/16/45/69/572164569.db2.gz SKIHPTIHRURRNP-JTQLQIEISA-N 0 3 165.236 2.506 10 30 AFEEHN CC(C)C[C@@](N)(CC#N)C(C)(C)C 84343852 572179529 /nfs/dbraw/zinc/17/95/29/572179529.db2.gz KMDWWAMNOAXRAS-NSHDSACASA-N 0 3 182.311 2.690 10 30 AFEEHN C[C@H]1C[C@@H](C)CN(CC(C)(C)C#N)C1 405191896 572182395 /nfs/dbraw/zinc/18/23/95/572182395.db2.gz SJWLKPUJSRHNCD-PHIMTYICSA-N 0 3 194.322 2.514 10 30 AFEEHN C[C@@H]1C[C@@H](C)CN(CC(C)(C)C#N)C1 405191895 572184317 /nfs/dbraw/zinc/18/43/17/572184317.db2.gz SJWLKPUJSRHNCD-GHMZBOCLSA-N 0 3 194.322 2.514 10 30 AFEEHN C[C@H]1C[C@H](C)CN(CC(C)(C)C#N)C1 405191897 572184704 /nfs/dbraw/zinc/18/47/04/572184704.db2.gz SJWLKPUJSRHNCD-QWRGUYRKSA-N 0 3 194.322 2.514 10 30 AFEEHN CCCNC[C@@H](C#N)C1CCCCC1 397397646 572185427 /nfs/dbraw/zinc/18/54/27/572185427.db2.gz SNACDTGRUXIDKV-GFCCVEGCSA-N 0 3 194.322 2.706 10 30 AFEEHN CC[C@H](CC#N)N[C@@H]1CC[C@H](C)[C@@H]1C 83044037 572186478 /nfs/dbraw/zinc/18/64/78/572186478.db2.gz UVOSDAJHMNYHGO-NNYUYHANSA-N 0 3 194.322 2.703 10 30 AFEEHN CCCNC[C@H](C#N)C1CCCCC1 397397653 572186781 /nfs/dbraw/zinc/18/67/81/572186781.db2.gz SNACDTGRUXIDKV-LBPRGKRZSA-N 0 3 194.322 2.706 10 30 AFEEHN C=C(Cl)CN[C@H]1CC[C@@H](C)[C@H]1C 83044063 572187835 /nfs/dbraw/zinc/18/78/35/572187835.db2.gz MPJQEIHGKMHVRL-QNSHHTMESA-N 0 3 187.714 2.763 10 30 AFEEHN C=C(Cl)CN[C@H]1CC[C@H](C)[C@H]1C 83044066 572187915 /nfs/dbraw/zinc/18/79/15/572187915.db2.gz MPJQEIHGKMHVRL-SFGNSQDASA-N 0 3 187.714 2.763 10 30 AFEEHN CC[C@@H]1CC[C@H](N[C@@H](C)CC#N)[C@@H]1C 83049072 572188821 /nfs/dbraw/zinc/18/88/21/572188821.db2.gz PWTXFMYTKBPEOP-QCNOEVLYSA-N 0 3 194.322 2.703 10 30 AFEEHN C=C(C)CN(C)CC=C1CCC1 393349255 572188354 /nfs/dbraw/zinc/18/83/54/572188354.db2.gz NMWGNFUSASFKEY-UHFFFAOYSA-N 0 3 165.280 2.605 10 30 AFEEHN CC[C@@H]1CC[C@@H](NC[C@@H](C)C#N)[C@@H]1C 83049289 572189877 /nfs/dbraw/zinc/18/98/77/572189877.db2.gz PUXWQJRHXQWTRG-IRCOFANPSA-N 0 3 194.322 2.560 10 30 AFEEHN CC[C@@H]1CC[C@@H](N[C@@H](C)CC#N)[C@@H]1C 83049076 572189334 /nfs/dbraw/zinc/18/93/34/572189334.db2.gz PWTXFMYTKBPEOP-IRCOFANPSA-N 0 3 194.322 2.703 10 30 AFEEHN CC[C@@H]1CC[C@H](NC[C@@H](C)C#N)[C@@H]1C 83049285 572189341 /nfs/dbraw/zinc/18/93/41/572189341.db2.gz PUXWQJRHXQWTRG-QCNOEVLYSA-N 0 3 194.322 2.560 10 30 AFEEHN CC[C@H]1CC[C@H](N[C@@H](C)CC#N)[C@@H]1C 83049074 572189406 /nfs/dbraw/zinc/18/94/06/572189406.db2.gz PWTXFMYTKBPEOP-USZNOCQGSA-N 0 3 194.322 2.703 10 30 AFEEHN CC[C@H]1CC[C@@H](NC[C@@H](C)C#N)[C@@H]1C 83049292 572190119 /nfs/dbraw/zinc/19/01/19/572190119.db2.gz PUXWQJRHXQWTRG-WHOHXGKFSA-N 0 3 194.322 2.560 10 30 AFEEHN CC[C@H]1CC[C@@H](N[C@@H](C)CC#N)[C@@H]1C 83049078 572190195 /nfs/dbraw/zinc/19/01/95/572190195.db2.gz PWTXFMYTKBPEOP-WHOHXGKFSA-N 0 3 194.322 2.703 10 30 AFEEHN CC[C@H]1CC[C@H](NC[C@@H](C)C#N)[C@@H]1C 83049288 572190350 /nfs/dbraw/zinc/19/03/50/572190350.db2.gz PUXWQJRHXQWTRG-USZNOCQGSA-N 0 3 194.322 2.560 10 30 AFEEHN CCN(CCC#N)[C@@H]1CCC[C@H](C)C1 70203842 572193680 /nfs/dbraw/zinc/19/36/80/572193680.db2.gz WZLRGLLZTQNLAB-NWDGAFQWSA-N 0 3 194.322 2.801 10 30 AFEEHN C=C(C)[C@H](NC)c1sc(C)nc1C 234403633 572200641 /nfs/dbraw/zinc/20/06/41/572200641.db2.gz OEFSMIOETOBZCD-VIFPVBQESA-N 0 3 196.319 2.597 10 30 AFEEHN C=CC[C@@H](NC)c1ccncc1Cl 160745571 572200714 /nfs/dbraw/zinc/20/07/14/572200714.db2.gz GCMQKLBDKTXKOO-SNVBAGLBSA-N 0 3 196.681 2.572 10 30 AFEEHN CC[C@](C)(N)C(=O)C1=CCCCCC1 234096268 572203290 /nfs/dbraw/zinc/20/32/90/572203290.db2.gz LFCCELHUJHPFGX-LBPRGKRZSA-N 0 3 195.306 2.573 10 30 AFEEHN CCN(CCC#N)C1CCC(C)CC1 70236038 572204556 /nfs/dbraw/zinc/20/45/56/572204556.db2.gz ZZJDZGXULGJPCH-UHFFFAOYSA-N 0 3 194.322 2.801 10 30 AFEEHN CCCC(C#N)C(=O)[C@H]1C[C@@H]2C[C@@H]2C1 251302881 572205613 /nfs/dbraw/zinc/20/56/13/572205613.db2.gz JFWJNGMGLZDLLY-MMWGEVLESA-N 0 3 191.274 2.541 10 30 AFEEHN CCC(CC)(CC)NC[C@@H](C)C#N 83388146 572206651 /nfs/dbraw/zinc/20/66/51/572206651.db2.gz PZXFGBRNOGZURN-JTQLQIEISA-N 0 3 182.311 2.704 10 30 AFEEHN CCC(CC)(CC)NC[C@H](C)C#N 83388147 572208122 /nfs/dbraw/zinc/20/81/22/572208122.db2.gz PZXFGBRNOGZURN-SNVBAGLBSA-N 0 3 182.311 2.704 10 30 AFEEHN C=C(C)CCN[C@H](C)c1ccccn1 168056865 572215015 /nfs/dbraw/zinc/21/50/15/572215015.db2.gz JQQFXDNSTVTHBE-LLVKDONJSA-N 0 3 190.290 2.698 10 30 AFEEHN C=C(C)CCN[C@@H](C)c1ccccn1 168056771 572216038 /nfs/dbraw/zinc/21/60/38/572216038.db2.gz JQQFXDNSTVTHBE-NSHDSACASA-N 0 3 190.290 2.698 10 30 AFEEHN CC[C@H](CC#N)N1CCCCCC1 36677377 572217758 /nfs/dbraw/zinc/21/77/58/572217758.db2.gz LRGKQRVJSMVQDK-LLVKDONJSA-N 0 3 180.295 2.555 10 30 AFEEHN CC[C@@H](CC#N)N1CCCCCC1 36677376 572218918 /nfs/dbraw/zinc/21/89/18/572218918.db2.gz LRGKQRVJSMVQDK-NSHDSACASA-N 0 3 180.295 2.555 10 30 AFEEHN C=C[C@@H](C)NCc1cscc1C 235197909 572220247 /nfs/dbraw/zinc/22/02/47/572220247.db2.gz SEKAGFIOVKBAHN-SECBINFHSA-N 0 3 181.304 2.721 10 30 AFEEHN CC[C@H]1CCC[C@H](NCCC#N)CC1 83435287 572220522 /nfs/dbraw/zinc/22/05/22/572220522.db2.gz UJJITIULPPTXBG-RYUDHWBXSA-N 0 3 194.322 2.849 10 30 AFEEHN CC[C@@H]1CCC[C@H](NCCC#N)CC1 83435286 572221028 /nfs/dbraw/zinc/22/10/28/572221028.db2.gz UJJITIULPPTXBG-NEPJUHHUSA-N 0 3 194.322 2.849 10 30 AFEEHN CC(C)[C@H](C)N(C)[C@@H]1CCC[C@@H]1C#N 36787270 572221702 /nfs/dbraw/zinc/22/17/02/572221702.db2.gz HCMABNWBKNPTGY-QJPTWQEYSA-N 0 3 194.322 2.655 10 30 AFEEHN CC[C@@H]1CCC[C@@H](NCCC#N)CC1 83435288 572221852 /nfs/dbraw/zinc/22/18/52/572221852.db2.gz UJJITIULPPTXBG-VXGBXAGGSA-N 0 3 194.322 2.849 10 30 AFEEHN CC[C@H]1CCC[C@@H](NCCC#N)CC1 83435289 572222554 /nfs/dbraw/zinc/22/25/54/572222554.db2.gz UJJITIULPPTXBG-NWDGAFQWSA-N 0 3 194.322 2.849 10 30 AFEEHN CC1CCC(CCNCCC#N)CC1 70532597 572234206 /nfs/dbraw/zinc/23/42/06/572234206.db2.gz GTFTWWUGVKKLPP-UHFFFAOYSA-N 0 3 194.322 2.706 10 30 AFEEHN C=CCCOc1ccccc1[C@H](C)N 70591001 572240405 /nfs/dbraw/zinc/24/04/05/572240405.db2.gz UVSOOUWRTBYWTP-JTQLQIEISA-N 0 3 191.274 2.661 10 30 AFEEHN C=CCCCNCc1nc(C)cs1 70591793 572240725 /nfs/dbraw/zinc/24/07/25/572240725.db2.gz BFEXWRNXCGNBFW-UHFFFAOYSA-N 0 3 196.319 2.507 10 30 AFEEHN C#C[C@@H](CCC)NC/C(C)=C\Cl 307975924 572327305 /nfs/dbraw/zinc/32/73/05/572327305.db2.gz HDAVQWHWRWPSIV-RNKPRXRFSA-N 0 3 185.698 2.521 10 30 AFEEHN C#C[C@H](CCC)NC/C(C)=C\Cl 307975925 572326235 /nfs/dbraw/zinc/32/62/35/572326235.db2.gz HDAVQWHWRWPSIV-UJICNMFASA-N 0 3 185.698 2.521 10 30 AFEEHN C=CC/C=C/[C@H](N)c1ccccc1 238626796 572329598 /nfs/dbraw/zinc/32/95/98/572329598.db2.gz ODEIUKCBVDIQER-DJTWPOEFSA-N 0 3 173.259 2.819 10 30 AFEEHN C=CCCCCCC(=O)[C@H](N)CC=C 236317756 572332527 /nfs/dbraw/zinc/33/25/27/572332527.db2.gz YIRMMISYGPAPTE-LLVKDONJSA-N 0 3 195.306 2.595 10 30 AFEEHN CCCCCC[C@@H]1CCC[C@H](C=O)N1 238212833 572335499 /nfs/dbraw/zinc/33/54/99/572335499.db2.gz RAAYUGDDIFQGJX-VXGBXAGGSA-N 0 3 197.322 2.666 10 30 AFEEHN CCCCCCCCC#CC#CCN 238204348 572336767 /nfs/dbraw/zinc/33/67/67/572336767.db2.gz HZPFOLOMOSRPGV-UHFFFAOYSA-N 0 3 191.318 2.703 10 30 AFEEHN CCCCCC[C@@H]1CCC[C@@H](C=O)N1 238212740 572337606 /nfs/dbraw/zinc/33/76/06/572337606.db2.gz RAAYUGDDIFQGJX-NEPJUHHUSA-N 0 3 197.322 2.666 10 30 AFEEHN CCCCC[C@H](C=O)NC(C)(C)C 238212513 572340040 /nfs/dbraw/zinc/34/00/40/572340040.db2.gz UIVCICKGZMLTMW-SNVBAGLBSA-N 0 3 185.311 2.522 10 30 AFEEHN C=C(C)CN1CCS[C@H]2CCC[C@@H]21 307106341 572342491 /nfs/dbraw/zinc/34/24/91/572342491.db2.gz YGMXGOVXAWSRJX-QWRGUYRKSA-N 0 3 197.347 2.532 10 30 AFEEHN C=CCNCc1ccccc1C1CC1 87011680 572344405 /nfs/dbraw/zinc/34/44/05/572344405.db2.gz QEGCGQXAHPOJIK-UHFFFAOYSA-N 0 3 187.286 2.840 10 30 AFEEHN CCC[NH2+]C[C@@H]([S-])c1ccccc1 238216366 572345225 /nfs/dbraw/zinc/34/52/25/572345225.db2.gz DAYAPGDOSWRCIB-LLVKDONJSA-N 0 3 195.331 2.657 10 30 AFEEHN C=C(C)[C@@H](NC)c1cc(C)cs1 307178040 572346030 /nfs/dbraw/zinc/34/60/30/572346030.db2.gz IUVRNCKIOLBUBW-SNVBAGLBSA-N 0 3 181.304 2.893 10 30 AFEEHN C=CC[C@@H]([NH3+])c1cc(C=C)ccc1[O-] 238642016 572347624 /nfs/dbraw/zinc/34/76/24/572347624.db2.gz MMSQESWNJBMMDL-LLVKDONJSA-N 0 3 189.258 2.611 10 30 AFEEHN C#CC(CC)(CC)N[C@@](C)(C#C)CC 238217517 572348625 /nfs/dbraw/zinc/34/86/25/572348625.db2.gz YSIRNNHRURNQFV-LBPRGKRZSA-N 0 3 191.318 2.570 10 30 AFEEHN CC[C@]1(C)C[C@@H]1NCC#CC(C)(C)C 307175281 572349441 /nfs/dbraw/zinc/34/94/41/572349441.db2.gz VRFNLNWXNZUQLK-WCQYABFASA-N 0 3 193.334 2.814 10 30 AFEEHN C=C(Cl)CN[C@@]1(C)CC=CCC1 307185224 572355857 /nfs/dbraw/zinc/35/58/57/572355857.db2.gz RXLDSRKRYZPHKR-JTQLQIEISA-N 0 3 185.698 2.827 10 30 AFEEHN CC[C@]1(C)C[C@H]1NCC#CC(C)(C)C 307175280 572355987 /nfs/dbraw/zinc/35/59/87/572355987.db2.gz VRFNLNWXNZUQLK-DGCLKSJQSA-N 0 3 193.334 2.814 10 30 AFEEHN CC[C@@]1(C)C[C@H]1NCC#CC(C)(C)C 307175282 572358204 /nfs/dbraw/zinc/35/82/04/572358204.db2.gz VRFNLNWXNZUQLK-YPMHNXCESA-N 0 3 193.334 2.814 10 30 AFEEHN C=CC[C@H]([NH3+])c1cc(C=C)ccc1[O-] 238656399 572359698 /nfs/dbraw/zinc/35/96/98/572359698.db2.gz MMSQESWNJBMMDL-NSHDSACASA-N 0 3 189.258 2.611 10 30 AFEEHN CCC1CCN(C/C=C/CS)CC1 87075675 572360889 /nfs/dbraw/zinc/36/08/89/572360889.db2.gz RIUMDTFYCTYECK-ONEGZZNKSA-N 0 3 199.363 2.594 10 30 AFEEHN CC#CC[C@H](NC)c1csc(C)c1 307153579 572361390 /nfs/dbraw/zinc/36/13/90/572361390.db2.gz BYHBPTXACITJRO-NSHDSACASA-N 0 3 193.315 2.730 10 30 AFEEHN CC(C)/C=N/CCNc1ccccc1 238220629 572363448 /nfs/dbraw/zinc/36/34/48/572363448.db2.gz HAOCZIBBNOGLBZ-JLHYYAGUSA-N 0 3 190.290 2.825 10 30 AFEEHN CCC[NH2+]C[C@H]([S-])c1ccccc1 238221849 572373706 /nfs/dbraw/zinc/37/37/06/572373706.db2.gz DAYAPGDOSWRCIB-NSHDSACASA-N 0 3 195.331 2.657 10 30 AFEEHN C#C/C=C/NCCCCCCC 238222529 572368118 /nfs/dbraw/zinc/36/81/18/572368118.db2.gz VRYPXROQTUZXDM-UXBLZVDNSA-N 0 3 165.280 2.693 10 30 AFEEHN CC#CC[C@@H](NC)c1csc(C)c1 307153571 572370452 /nfs/dbraw/zinc/37/04/52/572370452.db2.gz BYHBPTXACITJRO-LLVKDONJSA-N 0 3 193.315 2.730 10 30 AFEEHN C#C[C@@H](C)N[C@H](C)c1csc(C)c1 307119249 572373282 /nfs/dbraw/zinc/37/32/82/572373282.db2.gz RSKZUPQDGUSVFA-PSASIEDQSA-N 0 3 193.315 2.729 10 30 AFEEHN C=C(Cl)CN1CC[C@@H](CCC)C1 307995851 572374326 /nfs/dbraw/zinc/37/43/26/572374326.db2.gz WGMZNGGKCFFBLL-SNVBAGLBSA-N 0 3 187.714 2.861 10 30 AFEEHN C=C(Cl)CN1CC[C@H](CCC)C1 307995850 572374973 /nfs/dbraw/zinc/37/49/73/572374973.db2.gz WGMZNGGKCFFBLL-JTQLQIEISA-N 0 3 187.714 2.861 10 30 AFEEHN C=C(Cl)CN[C@@H](CCC)C1CC1 308004427 572378257 /nfs/dbraw/zinc/37/82/57/572378257.db2.gz KJHOGGTYBIIRNZ-JTQLQIEISA-N 0 3 187.714 2.907 10 30 AFEEHN C=C(Cl)CN[C@H](CCC)C1CC1 308004428 572378320 /nfs/dbraw/zinc/37/83/20/572378320.db2.gz KJHOGGTYBIIRNZ-SNVBAGLBSA-N 0 3 187.714 2.907 10 30 AFEEHN C=C(C)[C@H](NC)c1cc(C)cs1 307178035 572379220 /nfs/dbraw/zinc/37/92/20/572379220.db2.gz IUVRNCKIOLBUBW-JTQLQIEISA-N 0 3 181.304 2.893 10 30 AFEEHN CCC(CC)N(CCC#N)C(C)C 87157218 572379493 /nfs/dbraw/zinc/37/94/93/572379493.db2.gz JIUPTLCTFJVXLO-UHFFFAOYSA-N 0 3 182.311 2.799 10 30 AFEEHN C#C[C@H](C)N[C@H](C)c1csc(C)c1 307119251 572384401 /nfs/dbraw/zinc/38/44/01/572384401.db2.gz RSKZUPQDGUSVFA-WCBMZHEXSA-N 0 3 193.315 2.729 10 30 AFEEHN C=C(Cl)CN[C@]1(C)CC=CCC1 307185226 572384806 /nfs/dbraw/zinc/38/48/06/572384806.db2.gz RXLDSRKRYZPHKR-SNVBAGLBSA-N 0 3 185.698 2.827 10 30 AFEEHN CCCCCC[C@H]1CCC[C@H](C=O)N1 238226462 572388993 /nfs/dbraw/zinc/38/89/93/572388993.db2.gz RAAYUGDDIFQGJX-NWDGAFQWSA-N 0 3 197.322 2.666 10 30 AFEEHN C=C[C@H](NC)c1ccc(Cl)c(F)c1 234431960 572389441 /nfs/dbraw/zinc/38/94/41/572389441.db2.gz DFHCKBCDVXHLKD-JTQLQIEISA-N 0 3 199.656 2.926 10 30 AFEEHN CCC1(CC)CCN(C[C@H](C)C#N)C1 87254245 572409246 /nfs/dbraw/zinc/40/92/46/572409246.db2.gz SALLEWLXACEDKY-LLVKDONJSA-N 0 3 194.322 2.658 10 30 AFEEHN CCC1(CC)CCN([C@@H](C)CC#N)C1 87254252 572409625 /nfs/dbraw/zinc/40/96/25/572409625.db2.gz AGEFMLCOPSRMIY-NSHDSACASA-N 0 3 194.322 2.801 10 30 AFEEHN C#C[C@H](NCC)c1csc(C)c1C 307220722 572410958 /nfs/dbraw/zinc/41/09/58/572410958.db2.gz XGCQYLOKNLHJJO-NSHDSACASA-N 0 3 193.315 2.649 10 30 AFEEHN CCCCC[C@@H](C=O)NC(C)(C)C 238234960 572411419 /nfs/dbraw/zinc/41/14/19/572411419.db2.gz UIVCICKGZMLTMW-JTQLQIEISA-N 0 3 185.311 2.522 10 30 AFEEHN CCC1(CC)CCN([C@H](C)CC#N)C1 87254254 572412047 /nfs/dbraw/zinc/41/20/47/572412047.db2.gz AGEFMLCOPSRMIY-LLVKDONJSA-N 0 3 194.322 2.801 10 30 AFEEHN C=C[C@@H](C)N1CCc2ccsc2C1 307205949 572412337 /nfs/dbraw/zinc/41/23/37/572412337.db2.gz GYGUPDVZDBUAMK-SECBINFHSA-N 0 3 193.315 2.681 10 30 AFEEHN C=CCN[C@@H](C)c1cc(F)cc(F)c1 87263352 572413168 /nfs/dbraw/zinc/41/31/68/572413168.db2.gz UAIIRGNEFFAVNP-QMMMGPOBSA-N 0 3 197.228 2.801 10 30 AFEEHN C=CCN[C@H](C)c1cc(F)cc(F)c1 87263354 572413292 /nfs/dbraw/zinc/41/32/92/572413292.db2.gz UAIIRGNEFFAVNP-MRVPVSSYSA-N 0 3 197.228 2.801 10 30 AFEEHN CC#CC[C@H](NC)c1ccc(Cl)o1 234438202 572413450 /nfs/dbraw/zinc/41/34/50/572413450.db2.gz VLBNROCRRHFPSF-QMMMGPOBSA-N 0 3 197.665 2.607 10 30 AFEEHN C=CCNCc1sccc1CC 87310473 572415388 /nfs/dbraw/zinc/41/53/88/572415388.db2.gz OUZQVXGXVMONQE-UHFFFAOYSA-N 0 3 181.304 2.586 10 30 AFEEHN CCCCCC=NCCc1c[nH]cn1 238237484 572417058 /nfs/dbraw/zinc/41/70/58/572417058.db2.gz OJJHCDMLIMTIDP-KPKJPENVSA-N 0 3 193.294 2.603 10 30 AFEEHN CC#CC[C@@H](NC)c1ccc(Cl)o1 234439633 572416660 /nfs/dbraw/zinc/41/66/60/572416660.db2.gz VLBNROCRRHFPSF-MRVPVSSYSA-N 0 3 197.665 2.607 10 30 AFEEHN C=C(C)CNCc1cscc1C 87310773 572418385 /nfs/dbraw/zinc/41/83/85/572418385.db2.gz NXIACLPJBIOGPX-UHFFFAOYSA-N 0 3 181.304 2.722 10 30 AFEEHN C#C[C@@H](NCc1ccccc1)C1CCC1 307201206 572419808 /nfs/dbraw/zinc/41/98/08/572419808.db2.gz ZWZSGHHRAODETM-CQSZACIVSA-N 0 3 199.297 2.578 10 30 AFEEHN CC/N=C\c1c[nH]c2ccccc12 308020232 572427358 /nfs/dbraw/zinc/42/73/58/572427358.db2.gz RYMOUELUTVEJKA-GHXNOFRVSA-N 0 3 172.231 2.607 10 30 AFEEHN CCN(CC(C)(C)C#N)[C@@H](C)C(C)C 687828238 572435224 /nfs/dbraw/zinc/43/52/24/572435224.db2.gz PCFHNEYAZDESQG-NSHDSACASA-N 0 3 196.338 2.903 10 30 AFEEHN CCN(CC(C)(C)C#N)[C@H](C)C(C)C 687828237 572435974 /nfs/dbraw/zinc/43/59/74/572435974.db2.gz PCFHNEYAZDESQG-LLVKDONJSA-N 0 3 196.338 2.903 10 30 AFEEHN C[C@H](N)c1c(C#N)ccc2ccccc12 238804643 572440515 /nfs/dbraw/zinc/44/05/15/572440515.db2.gz VKXONPOWCNGCOP-VIFPVBQESA-N 0 3 196.253 2.731 10 30 AFEEHN CC[NH2+][C@@H](C)[C@@H]([S-])c1ccccc1 238240306 572442533 /nfs/dbraw/zinc/44/25/33/572442533.db2.gz AJTQJWJRFPKNKF-GXSJLCMTSA-N 0 3 195.331 2.656 10 30 AFEEHN C#C[C@@H](NC1CCC1)c1ccccc1 307305702 572444217 /nfs/dbraw/zinc/44/42/17/572444217.db2.gz RZLGDTOVKKOCMK-CYBMUJFWSA-N 0 3 185.270 2.503 10 30 AFEEHN CC(C)CC[C@@H](C)N[C@@H](C)CC#N 68890421 572444235 /nfs/dbraw/zinc/44/42/35/572444235.db2.gz HKPTZYCVAGGMSH-MNOVXSKESA-N 0 3 182.311 2.703 10 30 AFEEHN C=C(Cl)CNCC(C1CC1)C1CC1 83895045 572444587 /nfs/dbraw/zinc/44/45/87/572444587.db2.gz NEESEDPSQKZPBX-UHFFFAOYSA-N 0 3 199.725 2.765 10 30 AFEEHN CC[NH2+][C@@H](C)[C@H]([S-])c1ccccc1 238241284 572444770 /nfs/dbraw/zinc/44/47/70/572444770.db2.gz AJTQJWJRFPKNKF-ONGXEEELSA-N 0 3 195.331 2.656 10 30 AFEEHN CC[C@H](C)C[C@@H](C)N[C@@H](C)CC#N 83865025 572446845 /nfs/dbraw/zinc/44/68/45/572446845.db2.gz QLDDSHAIQCEXFZ-GARJFASQSA-N 0 3 182.311 2.703 10 30 AFEEHN CC[C@H](C)C[C@H](C)N[C@@H](C)CC#N 83865027 572446969 /nfs/dbraw/zinc/44/69/69/572446969.db2.gz QLDDSHAIQCEXFZ-DCAQKATOSA-N 0 3 182.311 2.703 10 30 AFEEHN CC[C@H](C)C[C@@H](C)NC[C@@H](C)C#N 83864621 572447786 /nfs/dbraw/zinc/44/77/86/572447786.db2.gz NJRCHTPIPRIMBX-GARJFASQSA-N 0 3 182.311 2.560 10 30 AFEEHN CC(C)N(CC(C)(C)C#N)C1CCC1 687828458 572447894 /nfs/dbraw/zinc/44/78/94/572447894.db2.gz FGKJQMOOGQOYND-UHFFFAOYSA-N 0 3 194.322 2.799 10 30 AFEEHN CC[C@H](C)C[C@H](C)NC[C@@H](C)C#N 83864623 572448710 /nfs/dbraw/zinc/44/87/10/572448710.db2.gz NJRCHTPIPRIMBX-DCAQKATOSA-N 0 3 182.311 2.560 10 30 AFEEHN C#C[C@H](NC1CCC1)c1ccccc1 307305703 572458097 /nfs/dbraw/zinc/45/80/97/572458097.db2.gz RZLGDTOVKKOCMK-ZDUSSCGKSA-N 0 3 185.270 2.503 10 30 AFEEHN C=C[C@H](NCC)c1ccc(C)cc1 83945228 572458729 /nfs/dbraw/zinc/45/87/29/572458729.db2.gz OINKMMZUNBREQE-LBPRGKRZSA-N 0 3 175.275 2.832 10 30 AFEEHN C=C[C@@H](NCC)c1ccccc1C 83945714 572458963 /nfs/dbraw/zinc/45/89/63/572458963.db2.gz WGVWNXPVFCHBTC-GFCCVEGCSA-N 0 3 175.275 2.832 10 30 AFEEHN C=C[C@H](NCCC)c1ccsc1 83945437 572459027 /nfs/dbraw/zinc/45/90/27/572459027.db2.gz JEXASIZDXBKKEM-JTQLQIEISA-N 0 3 181.304 2.975 10 30 AFEEHN C=C[C@H](NCC)c1ccccc1OC 83944737 572459494 /nfs/dbraw/zinc/45/94/94/572459494.db2.gz WXKUGMBAKXCWDF-NSHDSACASA-N 0 3 191.274 2.532 10 30 AFEEHN C=C[C@@H](NC)c1ccc(CC)cc1 83945467 572459596 /nfs/dbraw/zinc/45/95/96/572459596.db2.gz KBWPFKWARSDVJB-GFCCVEGCSA-N 0 3 175.275 2.696 10 30 AFEEHN C#C[C@@H](NCC)c1ccc(CC)cc1 83945476 572460084 /nfs/dbraw/zinc/46/00/84/572460084.db2.gz ILBVAJWSHLFZMD-CYBMUJFWSA-N 0 3 187.286 2.533 10 30 AFEEHN C=C[C@H](NCC)c1ccc(C)c(F)c1 83945791 572460128 /nfs/dbraw/zinc/46/01/28/572460128.db2.gz FSQATAXZUMYLJC-LBPRGKRZSA-N 0 3 193.265 2.971 10 30 AFEEHN C=C[C@@H](NCC)c1ccc(C)c(F)c1 83945794 572460168 /nfs/dbraw/zinc/46/01/68/572460168.db2.gz FSQATAXZUMYLJC-GFCCVEGCSA-N 0 3 193.265 2.971 10 30 AFEEHN C=C[C@@H](NCC)c1ccc(C)cc1 83945229 572460717 /nfs/dbraw/zinc/46/07/17/572460717.db2.gz OINKMMZUNBREQE-GFCCVEGCSA-N 0 3 175.275 2.832 10 30 AFEEHN C=C[C@H](NCC)c1ccccc1 83945634 572461323 /nfs/dbraw/zinc/46/13/23/572461323.db2.gz MSCRIPKHUHGGRL-NSHDSACASA-N 0 3 161.248 2.523 10 30 AFEEHN C#C[C@@H](NCCC)c1ccc(C)cc1 83945241 572461496 /nfs/dbraw/zinc/46/14/96/572461496.db2.gz TUQYZJJZKYWWOO-CYBMUJFWSA-N 0 3 187.286 2.669 10 30 AFEEHN C=C[C@H](NCC)c1ccc(F)c(C)c1 83946052 572461785 /nfs/dbraw/zinc/46/17/85/572461785.db2.gz IUNFALDFKSOAQI-LBPRGKRZSA-N 0 3 193.265 2.971 10 30 AFEEHN C=C[C@@H](NCC)c1ccc(F)cc1 83944932 572461868 /nfs/dbraw/zinc/46/18/68/572461868.db2.gz URWXUIVTIZTFRS-LLVKDONJSA-N 0 3 179.238 2.662 10 30 AFEEHN C=C[C@@H](NCC)c1ccc(F)c(C)c1 83946055 572462021 /nfs/dbraw/zinc/46/20/21/572462021.db2.gz IUNFALDFKSOAQI-GFCCVEGCSA-N 0 3 193.265 2.971 10 30 AFEEHN C#C[C@H](NCCC)c1ccccc1C 83945724 572462064 /nfs/dbraw/zinc/46/20/64/572462064.db2.gz AOZSMMAPJJBJRO-ZDUSSCGKSA-N 0 3 187.286 2.669 10 30 AFEEHN C=C[C@H](NC)c1cccc(OCC)c1 83944859 572462173 /nfs/dbraw/zinc/46/21/73/572462173.db2.gz FBOLSIGHDWVFRL-LBPRGKRZSA-N 0 3 191.274 2.532 10 30 AFEEHN C=C[C@@H](NCC)c1cccc(F)c1 83944956 572462260 /nfs/dbraw/zinc/46/22/60/572462260.db2.gz JDRVZWKHRNZKBZ-LLVKDONJSA-N 0 3 179.238 2.662 10 30 AFEEHN C=C[C@@H](NCCC)c1cccs1 83945018 572462267 /nfs/dbraw/zinc/46/22/67/572462267.db2.gz YMVKGLYRCLVBHV-SECBINFHSA-N 0 3 181.304 2.975 10 30 AFEEHN C#C[C@H](NCCC)c1ccc(C)cc1 83945239 572462363 /nfs/dbraw/zinc/46/23/63/572462363.db2.gz TUQYZJJZKYWWOO-ZDUSSCGKSA-N 0 3 187.286 2.669 10 30 AFEEHN C=C[C@@H](NCC)c1cccc(OC)c1 83944826 572462587 /nfs/dbraw/zinc/46/25/87/572462587.db2.gz WTIQUCDHMBCAES-GFCCVEGCSA-N 0 3 191.274 2.532 10 30 AFEEHN C=C[C@H](NCCC)c1cccs1 83945016 572462606 /nfs/dbraw/zinc/46/26/06/572462606.db2.gz YMVKGLYRCLVBHV-VIFPVBQESA-N 0 3 181.304 2.975 10 30 AFEEHN C#C[C@@H](NCCC)c1ccccc1C 83945726 572462695 /nfs/dbraw/zinc/46/26/95/572462695.db2.gz AOZSMMAPJJBJRO-CYBMUJFWSA-N 0 3 187.286 2.669 10 30 AFEEHN C=C[C@H](NC)c1ccc2ccccc2n1 83947132 572463252 /nfs/dbraw/zinc/46/32/52/572463252.db2.gz XACQRVWNQOZXAT-NSHDSACASA-N 0 3 198.269 2.681 10 30 AFEEHN C#C[C@H](NC)c1cccc2ccccc12 83946816 572463144 /nfs/dbraw/zinc/46/31/44/572463144.db2.gz GBIGDKKQXSOUNW-AWEZNQCLSA-N 0 3 195.265 2.734 10 30 AFEEHN C=C[C@@H](NCC)c1ccccc1F 83947019 572463970 /nfs/dbraw/zinc/46/39/70/572463970.db2.gz XGIOTKSAGHEGHV-LLVKDONJSA-N 0 3 179.238 2.662 10 30 AFEEHN CCCCCCN[C@@H]1CCC[C@@H]1C#N 61890970 572464035 /nfs/dbraw/zinc/46/40/35/572464035.db2.gz JDSMEMCMIGNBRK-VXGBXAGGSA-N 0 3 194.322 2.849 10 30 AFEEHN C=C[C@@H](NCCC)c1cccc(C)n1 83947175 572464357 /nfs/dbraw/zinc/46/43/57/572464357.db2.gz ZRVQTIIVFFVOPV-LLVKDONJSA-N 0 3 190.290 2.617 10 30 AFEEHN C=C[C@H](NCC)c1ccccc1F 83947018 572464463 /nfs/dbraw/zinc/46/44/63/572464463.db2.gz XGIOTKSAGHEGHV-NSHDSACASA-N 0 3 179.238 2.662 10 30 AFEEHN C=C[C@H](NCC)c1cc(F)cc(F)c1 83946484 572464480 /nfs/dbraw/zinc/46/44/80/572464480.db2.gz RBARBHXJJUEFOI-NSHDSACASA-N 0 3 197.228 2.801 10 30 AFEEHN C#C[C@@H](NC)c1cccc2ccccc12 83946817 572464616 /nfs/dbraw/zinc/46/46/16/572464616.db2.gz GBIGDKKQXSOUNW-CQSZACIVSA-N 0 3 195.265 2.734 10 30 AFEEHN C=C[C@H](NC)c1ccc2ncccc2c1 83947122 572464666 /nfs/dbraw/zinc/46/46/66/572464666.db2.gz MLOPLPCPVPOZDT-LBPRGKRZSA-N 0 3 198.269 2.681 10 30 AFEEHN C=C[C@H](NCCC)c1cc(C)ccn1 83947234 572464822 /nfs/dbraw/zinc/46/48/22/572464822.db2.gz DDTQPZUINXSXPB-NSHDSACASA-N 0 3 190.290 2.617 10 30 AFEEHN C#C[C@H](NC)c1ccc2ccccc2c1 83946824 572464900 /nfs/dbraw/zinc/46/49/00/572464900.db2.gz JFNFTJMFKCBOJF-AWEZNQCLSA-N 0 3 195.265 2.734 10 30 AFEEHN C#C[C@@H](NC)c1ccc2ccccc2c1 83946825 572464919 /nfs/dbraw/zinc/46/49/19/572464919.db2.gz JFNFTJMFKCBOJF-CQSZACIVSA-N 0 3 195.265 2.734 10 30 AFEEHN C=C[C@@H](NCC)c1cc(F)ccc1C 83946717 572465008 /nfs/dbraw/zinc/46/50/08/572465008.db2.gz JTSOTHNHSQPVEY-GFCCVEGCSA-N 0 3 193.265 2.971 10 30 AFEEHN C=C[C@@H](NCCC)c1ccoc1 83947296 572465130 /nfs/dbraw/zinc/46/51/30/572465130.db2.gz FQRALXPYLMZHAE-SNVBAGLBSA-N 0 3 165.236 2.506 10 30 AFEEHN C=C[C@@H](NC)c1ccc2ncccc2c1 83947123 572465491 /nfs/dbraw/zinc/46/54/91/572465491.db2.gz MLOPLPCPVPOZDT-GFCCVEGCSA-N 0 3 198.269 2.681 10 30 AFEEHN C=C[C@@H](NCC)c1cc(F)cc(F)c1 83946485 572465707 /nfs/dbraw/zinc/46/57/07/572465707.db2.gz RBARBHXJJUEFOI-LLVKDONJSA-N 0 3 197.228 2.801 10 30 AFEEHN C=C[C@@H](NCCC)c1cc(C)ccn1 83947235 572465765 /nfs/dbraw/zinc/46/57/65/572465765.db2.gz DDTQPZUINXSXPB-LLVKDONJSA-N 0 3 190.290 2.617 10 30 AFEEHN C=C[C@@H](NC)c1nccc2ccccc12 83947257 572465772 /nfs/dbraw/zinc/46/57/72/572465772.db2.gz VYROBDZXPRDGCR-GFCCVEGCSA-N 0 3 198.269 2.681 10 30 AFEEHN C=C[C@H](NCCC)c1ncccc1C 83946564 572465790 /nfs/dbraw/zinc/46/57/90/572465790.db2.gz WALPWEPFBQRTCB-NSHDSACASA-N 0 3 190.290 2.617 10 30 AFEEHN C=C[C@H](NCC)c1cc(F)ccc1C 83946716 572465861 /nfs/dbraw/zinc/46/58/61/572465861.db2.gz JTSOTHNHSQPVEY-LBPRGKRZSA-N 0 3 193.265 2.971 10 30 AFEEHN C=C[C@@H](NC)c1ccc2ccccc2n1 83947133 572465903 /nfs/dbraw/zinc/46/59/03/572465903.db2.gz XACQRVWNQOZXAT-LLVKDONJSA-N 0 3 198.269 2.681 10 30 AFEEHN C=C[C@@H](CSc1ccccc1)NC 83947671 572465950 /nfs/dbraw/zinc/46/59/50/572465950.db2.gz WLFXFGMQSFTUFT-JTQLQIEISA-N 0 3 193.315 2.553 10 30 AFEEHN C=C[C@@H](NCCC)c1ncccc1C 83946565 572466052 /nfs/dbraw/zinc/46/60/52/572466052.db2.gz WALPWEPFBQRTCB-LLVKDONJSA-N 0 3 190.290 2.617 10 30 AFEEHN CCCC[S@+](CC)c1ccc[n-]1 238257968 572467263 /nfs/dbraw/zinc/46/72/63/572467263.db2.gz GJKIQGPTQDVDOK-GFCCVEGCSA-N 0 3 184.328 2.812 10 30 AFEEHN C=C[C@](C)(NCC)c1ccccc1 238258021 572468105 /nfs/dbraw/zinc/46/81/05/572468105.db2.gz HYUXCRANTYXXRG-LBPRGKRZSA-N 0 3 175.275 2.697 10 30 AFEEHN CCCC[S@@+](CC)c1ccc[n-]1 238257978 572470103 /nfs/dbraw/zinc/47/01/03/572470103.db2.gz GJKIQGPTQDVDOK-LBPRGKRZSA-N 0 3 184.328 2.812 10 30 AFEEHN C=C[C@@H](N)c1ccc(OCCC)cc1 83982263 572473342 /nfs/dbraw/zinc/47/33/42/572473342.db2.gz BBBNGRRASHQZHU-GFCCVEGCSA-N 0 3 191.274 2.661 10 30 AFEEHN C=C(CN)c1cc2ccccc2s1 307369988 572474667 /nfs/dbraw/zinc/47/46/67/572474667.db2.gz OZLZKCVHVCLQCQ-UHFFFAOYSA-N 0 3 189.283 2.873 10 30 AFEEHN CCCC#C/C(=N\C(C)C)NC(C)C 141318501 572484999 /nfs/dbraw/zinc/48/49/99/572484999.db2.gz UMVQJYOYGKODOU-UHFFFAOYSA-N 0 3 194.322 2.595 10 30 AFEEHN C=C[C@@H](N)c1ccc(CCCC)cn1 238264789 572487414 /nfs/dbraw/zinc/48/74/14/572487414.db2.gz GWTYTJHXXDYUSL-LLVKDONJSA-N 0 3 190.290 2.610 10 30 AFEEHN C=C(C)[C@@H](NC)c1sc(C)nc1C 234458714 572493136 /nfs/dbraw/zinc/49/31/36/572493136.db2.gz OEFSMIOETOBZCD-SECBINFHSA-N 0 3 196.319 2.597 10 30 AFEEHN CC[C@H](CC#N)N1CCC[C@@H]1C(C)C 84125996 572503682 /nfs/dbraw/zinc/50/36/82/572503682.db2.gz DFTHATOEWARXJJ-VXGBXAGGSA-N 0 3 194.322 2.799 10 30 AFEEHN C=C[C@@H](N)c1cc(C)ccc1OCC 238279122 572507380 /nfs/dbraw/zinc/50/73/80/572507380.db2.gz OXXHDHHETXKCKW-LLVKDONJSA-N 0 3 191.274 2.580 10 30 AFEEHN C=CCNCCSc1cccs1 53615865 572508733 /nfs/dbraw/zinc/50/87/33/572508733.db2.gz DWODJNBBHAZIBV-UHFFFAOYSA-N 0 3 199.344 2.616 10 30 AFEEHN CN(CC(C)(C)C)[C@@H]1CCC[C@@H]1C#N 45073522 572509362 /nfs/dbraw/zinc/50/93/62/572509362.db2.gz LZQMBVFJDOWVLW-GHMZBOCLSA-N 0 3 194.322 2.657 10 30 AFEEHN C=C[C@H](N)c1cc(C)ccc1OCC 238278593 572509484 /nfs/dbraw/zinc/50/94/84/572509484.db2.gz OXXHDHHETXKCKW-NSHDSACASA-N 0 3 191.274 2.580 10 30 AFEEHN CN(CC(C)(C)C)[C@H]1CCC[C@@H]1C#N 45073523 572509636 /nfs/dbraw/zinc/50/96/36/572509636.db2.gz LZQMBVFJDOWVLW-MNOVXSKESA-N 0 3 194.322 2.657 10 30 AFEEHN C=CC[C@@H](N)c1nc(C)c(CC)s1 238295682 572538309 /nfs/dbraw/zinc/53/83/09/572538309.db2.gz WLQZCOKPFPJKNB-MRVPVSSYSA-N 0 3 196.319 2.590 10 30 AFEEHN CCC(C#N)C(=O)CCC=C(C)C 238298735 572540417 /nfs/dbraw/zinc/54/04/17/572540417.db2.gz JHKMFUXCUYCEHZ-SNVBAGLBSA-N 0 3 179.263 2.852 10 30 AFEEHN C=CC(C)(C)CNc1ccncc1 307542804 572540640 /nfs/dbraw/zinc/54/06/40/572540640.db2.gz AVKIUTSVUBBVBW-UHFFFAOYSA-N 0 3 176.263 2.706 10 30 AFEEHN C=C[C@H](NC)c1cccc(F)c1C 307509942 572547078 /nfs/dbraw/zinc/54/70/78/572547078.db2.gz VUUFTNDZCGNHTH-NSHDSACASA-N 0 3 179.238 2.581 10 30 AFEEHN CCC(C#N)C(=O)CCC=C(C)C 238314003 572554195 /nfs/dbraw/zinc/55/41/95/572554195.db2.gz JHKMFUXCUYCEHZ-JTQLQIEISA-N 0 3 179.263 2.852 10 30 AFEEHN C[C@@H](CC#N)N[C@H]1CC[C@@H](C)C[C@H]1C 69675766 572556882 /nfs/dbraw/zinc/55/68/82/572556882.db2.gz SFRBBLHIOFOQDF-WYUUTHIRSA-N 0 3 194.322 2.703 10 30 AFEEHN C=C1CCCN(CC=C(C)C)C1 307525012 572558272 /nfs/dbraw/zinc/55/82/72/572558272.db2.gz RAFGYTYUPUXKKS-UHFFFAOYSA-N 0 3 165.280 2.605 10 30 AFEEHN C=C(Cl)CN1CC[C@H](C(C)C)C1 306152940 572566707 /nfs/dbraw/zinc/56/67/07/572566707.db2.gz GZEUPNJPEVLXMQ-JTQLQIEISA-N 0 3 187.714 2.717 10 30 AFEEHN C=C(Cl)CN1CCC[C@@H]1C(C)C 306163655 572569630 /nfs/dbraw/zinc/56/96/30/572569630.db2.gz HRHLMJFTDZPQAD-SNVBAGLBSA-N 0 3 187.714 2.859 10 30 AFEEHN CCCC(C#N)C(=O)C1C[C@@H]2C[C@@H]2C1 87564421 572568573 /nfs/dbraw/zinc/56/85/73/572568573.db2.gz JFWJNGMGLZDLLY-GKDVJIACSA-N 0 3 191.274 2.541 10 30 AFEEHN CCCC(C#N)C(=O)C1C[C@@H]2C[C@@H]2C1 87564423 572570126 /nfs/dbraw/zinc/57/01/26/572570126.db2.gz JFWJNGMGLZDLLY-NFLHVTIKSA-N 0 3 191.274 2.541 10 30 AFEEHN C=C(C)[C@@H](NCCC)c1cncs1 87574819 572570631 /nfs/dbraw/zinc/57/06/31/572570631.db2.gz RQVXVQBTWAWDIB-SNVBAGLBSA-N 0 3 196.319 2.760 10 30 AFEEHN C=CCC[C@H](NCC)c1cncs1 87574643 572571101 /nfs/dbraw/zinc/57/11/01/572571101.db2.gz QVTASEVJLILZEP-VIFPVBQESA-N 0 3 196.319 2.760 10 30 AFEEHN C=CCCC[C@H](NC)c1cncs1 87574317 572571361 /nfs/dbraw/zinc/57/13/61/572571361.db2.gz RLLYUGKVNYQAGG-VIFPVBQESA-N 0 3 196.319 2.760 10 30 AFEEHN C=C(CC)C[C@H](NC)c1cncs1 87574513 572571679 /nfs/dbraw/zinc/57/16/79/572571679.db2.gz HIPRJOMYTVETCJ-VIFPVBQESA-N 0 3 196.319 2.760 10 30 AFEEHN C=C(C)C[C@@H](NCC)c1cncs1 87574700 572571780 /nfs/dbraw/zinc/57/17/80/572571780.db2.gz QSCJOJMKHXCJEJ-SECBINFHSA-N 0 3 196.319 2.760 10 30 AFEEHN C=C(C)C[C@H](NCC)c1cncs1 87574699 572572353 /nfs/dbraw/zinc/57/23/53/572572353.db2.gz QSCJOJMKHXCJEJ-VIFPVBQESA-N 0 3 196.319 2.760 10 30 AFEEHN C=C(C)[C@H](NCCC)c1cncs1 87574820 572572567 /nfs/dbraw/zinc/57/25/67/572572567.db2.gz RQVXVQBTWAWDIB-JTQLQIEISA-N 0 3 196.319 2.760 10 30 AFEEHN C=CCCC[C@@H](NC)c1cncs1 87574318 572573086 /nfs/dbraw/zinc/57/30/86/572573086.db2.gz RLLYUGKVNYQAGG-SECBINFHSA-N 0 3 196.319 2.760 10 30 AFEEHN C=C(CC)C[C@@H](NC)c1cncs1 87574514 572573779 /nfs/dbraw/zinc/57/37/79/572573779.db2.gz HIPRJOMYTVETCJ-SECBINFHSA-N 0 3 196.319 2.760 10 30 AFEEHN C=CCN[C@H]1CCc2cc(C)ccc21 306227165 572578013 /nfs/dbraw/zinc/57/80/13/572578013.db2.gz WIHQZPGLOFOEOD-ZDUSSCGKSA-N 0 3 187.286 2.758 10 30 AFEEHN C=C[C@@H](NC)c1ccc(Cl)c(F)c1 234480473 572578287 /nfs/dbraw/zinc/57/82/87/572578287.db2.gz DFHCKBCDVXHLKD-SNVBAGLBSA-N 0 3 199.656 2.926 10 30 AFEEHN C=C[C@@H](C)N[C@@H]1CCc2ccsc21 307506558 572578375 /nfs/dbraw/zinc/57/83/75/572578375.db2.gz LSTCLYCMXZJUQH-PSASIEDQSA-N 0 3 193.315 2.900 10 30 AFEEHN C=CC[C@H](N)C(=O)CCCCCCC 124330212 572586696 /nfs/dbraw/zinc/58/66/96/572586696.db2.gz NWVARGCIFMHDBS-NSHDSACASA-N 0 3 197.322 2.819 10 30 AFEEHN C=C[C@H](N)c1ccc2c(C)cccc2n1 714092889 572587826 /nfs/dbraw/zinc/58/78/26/572587826.db2.gz GVOUGBFDEOGDSF-NSHDSACASA-N 0 3 198.269 2.729 10 30 AFEEHN C=CC[C@@H](N)C(=O)CCCCCCC 124329955 572587193 /nfs/dbraw/zinc/58/71/93/572587193.db2.gz NWVARGCIFMHDBS-LLVKDONJSA-N 0 3 197.322 2.819 10 30 AFEEHN C=CCC[C@H](NCC)c1cscn1 87595281 572591089 /nfs/dbraw/zinc/59/10/89/572591089.db2.gz WVHAGTKSOIYENS-VIFPVBQESA-N 0 3 196.319 2.760 10 30 AFEEHN C=C(C)[C@H](NC)c1cc(C)cc(C)n1 306201570 572588800 /nfs/dbraw/zinc/58/88/00/572588800.db2.gz OCQRFGQQYIRLGJ-LBPRGKRZSA-N 0 3 190.290 2.535 10 30 AFEEHN C=C(Cl)CN[C@@H]1[C@H]2CCCC[C@H]21 306246693 572589000 /nfs/dbraw/zinc/58/90/00/572589000.db2.gz DVZABYBOYBECQD-MYJAWHEDSA-N 0 3 185.698 2.517 10 30 AFEEHN C[C@@H](CC#N)N1CCC[C@H]1C(C)(C)C 251547184 572589863 /nfs/dbraw/zinc/58/98/63/572589863.db2.gz LIHVIGVMGPWJDS-QWRGUYRKSA-N 0 3 194.322 2.799 10 30 AFEEHN C=C(C)C[C@@H](NCC)c1cscn1 87595381 572590405 /nfs/dbraw/zinc/59/04/05/572590405.db2.gz RADPWVYXOVLYQP-SECBINFHSA-N 0 3 196.319 2.760 10 30 AFEEHN C=C(C)C[C@H](NCC)c1cscn1 87595380 572593750 /nfs/dbraw/zinc/59/37/50/572593750.db2.gz RADPWVYXOVLYQP-VIFPVBQESA-N 0 3 196.319 2.760 10 30 AFEEHN C=CCC[C@@H](NCC)c1cscn1 87595282 572594016 /nfs/dbraw/zinc/59/40/16/572594016.db2.gz WVHAGTKSOIYENS-SECBINFHSA-N 0 3 196.319 2.760 10 30 AFEEHN C=CC[C@@H](NCCC)c1cscn1 87595597 572595099 /nfs/dbraw/zinc/59/50/99/572595099.db2.gz KEARIWYYLOZNJM-SECBINFHSA-N 0 3 196.319 2.760 10 30 AFEEHN C=CC[C@H](NCCC)c1cscn1 87595594 572595221 /nfs/dbraw/zinc/59/52/21/572595221.db2.gz KEARIWYYLOZNJM-VIFPVBQESA-N 0 3 196.319 2.760 10 30 AFEEHN C=C[C@](C)(CC)[C@H]1NC[C@H](C)S1 306215848 572595779 /nfs/dbraw/zinc/59/57/79/572595779.db2.gz IHYNLAIKDXDFIX-LPEHRKFASA-N 0 3 185.336 2.640 10 30 AFEEHN C=C(C)[C@@H](NC)c1cc(C)cc(C)n1 306201568 572597462 /nfs/dbraw/zinc/59/74/62/572597462.db2.gz OCQRFGQQYIRLGJ-GFCCVEGCSA-N 0 3 190.290 2.535 10 30 AFEEHN C=CCN[C@H]1CCc2ccc(F)cc21 307529127 572599934 /nfs/dbraw/zinc/59/99/34/572599934.db2.gz UBJUYEJNCFBXOI-LBPRGKRZSA-N 0 3 191.249 2.589 10 30 AFEEHN C=C[C@@H](NC)c1cccc(F)c1C 307509941 572601335 /nfs/dbraw/zinc/60/13/35/572601335.db2.gz VUUFTNDZCGNHTH-LLVKDONJSA-N 0 3 179.238 2.581 10 30 AFEEHN C=C(Cl)CN1C[C@H](C)C[C@@H]1CC 306391341 572601751 /nfs/dbraw/zinc/60/17/51/572601751.db2.gz DECZLJHRLMZDOY-SCZZXKLOSA-N 0 3 187.714 2.859 10 30 AFEEHN C=C[C@@H](C)N1CCC(C(F)F)CC1 307574495 572601888 /nfs/dbraw/zinc/60/18/88/572601888.db2.gz HIFUFUPSJLVUTR-MRVPVSSYSA-N 0 3 189.249 2.538 10 30 AFEEHN C=CCN[C@H]1CCc2c(C)cccc21 307583930 572605537 /nfs/dbraw/zinc/60/55/37/572605537.db2.gz GJPHLKVTIZPSMM-ZDUSSCGKSA-N 0 3 187.286 2.758 10 30 AFEEHN C=C[C@@H](C)N1CCS[C@H](C(C)C)C1 306320237 572608332 /nfs/dbraw/zinc/60/83/32/572608332.db2.gz JAAOSKBKRWJJJO-MNOVXSKESA-N 0 3 199.363 2.634 10 30 AFEEHN C=C[C@@H](C)N1CCS[C@@H](C(C)C)C1 306320232 572608740 /nfs/dbraw/zinc/60/87/40/572608740.db2.gz JAAOSKBKRWJJJO-GHMZBOCLSA-N 0 3 199.363 2.634 10 30 AFEEHN C=C[C@@H](C)N[C@H]1CCc2ccsc21 307506559 572609432 /nfs/dbraw/zinc/60/94/32/572609432.db2.gz LSTCLYCMXZJUQH-SCZZXKLOSA-N 0 3 193.315 2.900 10 30 AFEEHN C=C[C@H](C)N[C@@H]1CCc2ccsc21 307506560 572609587 /nfs/dbraw/zinc/60/95/87/572609587.db2.gz LSTCLYCMXZJUQH-WCBMZHEXSA-N 0 3 193.315 2.900 10 30 AFEEHN C=C(Cl)CN1CC[C@H](CC2CC2)C1 393477723 572610238 /nfs/dbraw/zinc/61/02/38/572610238.db2.gz SUYDKPFLZMMGDU-LLVKDONJSA-N 0 3 199.725 2.861 10 30 AFEEHN C=C(Cl)CN1CC[C@@H](CC2CC2)C1 393477726 572610716 /nfs/dbraw/zinc/61/07/16/572610716.db2.gz SUYDKPFLZMMGDU-NSHDSACASA-N 0 3 199.725 2.861 10 30 AFEEHN C=CCNCc1ccccc1C=C 115259105 572611482 /nfs/dbraw/zinc/61/14/82/572611482.db2.gz VRIFFQMLYFOPQE-UHFFFAOYSA-N 0 3 173.259 2.605 10 30 AFEEHN CC[C@H](CC#N)N1CCCCC[C@@H]1C 69944828 572613272 /nfs/dbraw/zinc/61/32/72/572613272.db2.gz XDWHNEGWVABMAO-NWDGAFQWSA-N 0 3 194.322 2.943 10 30 AFEEHN C[C@@H](CC#N)N1CCCCC[C@@H]1C 69944846 572613501 /nfs/dbraw/zinc/61/35/01/572613501.db2.gz OHVJEONQKQTHSI-QWRGUYRKSA-N 0 3 180.295 2.553 10 30 AFEEHN C=C[C@H](C)N1CCS[C@H](C(C)C)C1 306320243 572613581 /nfs/dbraw/zinc/61/35/81/572613581.db2.gz JAAOSKBKRWJJJO-QWRGUYRKSA-N 0 3 199.363 2.634 10 30 AFEEHN CC[C@@H](CC#N)N1CCCCC[C@@H]1C 69944827 572613889 /nfs/dbraw/zinc/61/38/89/572613889.db2.gz XDWHNEGWVABMAO-RYUDHWBXSA-N 0 3 194.322 2.943 10 30 AFEEHN C[C@@H](CC#N)N1CCCCC[C@H]1C 69944845 572615100 /nfs/dbraw/zinc/61/51/00/572615100.db2.gz OHVJEONQKQTHSI-MNOVXSKESA-N 0 3 180.295 2.553 10 30 AFEEHN C=C[C@@H](N)c1ccc2cc(C)ccc2n1 714110581 572615209 /nfs/dbraw/zinc/61/52/09/572615209.db2.gz WBWUCMROUMHRER-LLVKDONJSA-N 0 3 198.269 2.729 10 30 AFEEHN C=C[C@H](N)c1ccc2cc(C)ccc2n1 714110582 572615533 /nfs/dbraw/zinc/61/55/33/572615533.db2.gz WBWUCMROUMHRER-NSHDSACASA-N 0 3 198.269 2.729 10 30 AFEEHN C=C1CCCN(CC=C2CCC2)C1 307534016 572618386 /nfs/dbraw/zinc/61/83/86/572618386.db2.gz BCVLUMBPXZTKMG-UHFFFAOYSA-N 0 3 177.291 2.749 10 30 AFEEHN C=C(Cl)CN[C@@H]1CCC[C@@H]2C[C@@]21C 306333738 572620738 /nfs/dbraw/zinc/62/07/38/572620738.db2.gz DWPKVKLVPAVYEH-MXWKQRLJSA-N 0 3 199.725 2.907 10 30 AFEEHN C=C(C)[C@H](NC)c1cncc(Cl)c1 306306065 572621081 /nfs/dbraw/zinc/62/10/81/572621081.db2.gz PPUHJEOGSAZDQO-JTQLQIEISA-N 0 3 196.681 2.572 10 30 AFEEHN C=C(C)[C@@H](NC)c1cncc(Cl)c1 306306066 572622598 /nfs/dbraw/zinc/62/25/98/572622598.db2.gz PPUHJEOGSAZDQO-SNVBAGLBSA-N 0 3 196.681 2.572 10 30 AFEEHN C=C(Cl)CN1C[C@@H](C)C[C@@H]1CC 306391365 572622706 /nfs/dbraw/zinc/62/27/06/572622706.db2.gz DECZLJHRLMZDOY-WPRPVWTQSA-N 0 3 187.714 2.859 10 30 AFEEHN C=C(Cl)CN1C[C@H](C)C[C@H]1CC 306391331 572622828 /nfs/dbraw/zinc/62/28/28/572622828.db2.gz DECZLJHRLMZDOY-PSASIEDQSA-N 0 3 187.714 2.859 10 30 AFEEHN C=C(C)[C@H](NC)c1sccc1F 306466843 572623894 /nfs/dbraw/zinc/62/38/94/572623894.db2.gz JZOKLMDXIQPTHU-QMMMGPOBSA-N 0 3 185.267 2.724 10 30 AFEEHN C=C(Cl)CN1CC[C@@H]2CCC[C@@H]21 306492771 572627833 /nfs/dbraw/zinc/62/78/33/572627833.db2.gz RJOTVQGWGSJYSD-UWVGGRQHSA-N 0 3 185.698 2.613 10 30 AFEEHN C#C[C@@H]1CCCCN1Cc1ccccc1 306456895 572630045 /nfs/dbraw/zinc/63/00/45/572630045.db2.gz UJYOSBIFMMFIDK-CQSZACIVSA-N 0 3 199.297 2.674 10 30 AFEEHN C=C(Cl)CN1CC[C@@H]2CCC[C@H]21 306492772 572631781 /nfs/dbraw/zinc/63/17/81/572631781.db2.gz RJOTVQGWGSJYSD-VHSXEESVSA-N 0 3 185.698 2.613 10 30 AFEEHN C=C(C)C[C@H](N)c1ccc(C)c(C)n1 306472364 572632337 /nfs/dbraw/zinc/63/23/37/572632337.db2.gz SSKNCZHQNMGZDZ-NSHDSACASA-N 0 3 190.290 2.664 10 30 AFEEHN C[C@H](C#N)CNCCC1=CCCCC1 47979947 572632874 /nfs/dbraw/zinc/63/28/74/572632874.db2.gz FRUDNNZHMUUBOS-LLVKDONJSA-N 0 3 192.306 2.626 10 30 AFEEHN C=C(Cl)CN[C@@H]1CCC(F)(F)C1 307674909 572635928 /nfs/dbraw/zinc/63/59/28/572635928.db2.gz FIJZCKVGHSOKLL-SSDOTTSWSA-N 0 3 195.640 2.516 10 30 AFEEHN CC[C@@H]1CCCCN1[C@@H](C)CC#N 48246686 572639070 /nfs/dbraw/zinc/63/90/70/572639070.db2.gz ZJRDSUNZKVGILG-WDEREUQCSA-N 0 3 180.295 2.553 10 30 AFEEHN C[C@H](CC#N)N(C)C1CCCCCC1 48246912 572639188 /nfs/dbraw/zinc/63/91/88/572639188.db2.gz YBMQPZFYIRBDQM-LLVKDONJSA-N 0 3 194.322 2.943 10 30 AFEEHN C[C@H](CC#N)N(C)C1CCCCC1 48246544 572639835 /nfs/dbraw/zinc/63/98/35/572639835.db2.gz KUWGJQOIQOGZEQ-SNVBAGLBSA-N 0 3 180.295 2.553 10 30 AFEEHN C=C(Cl)CN1CC[C@H](CC)[C@@H]1C 306473002 572640570 /nfs/dbraw/zinc/64/05/70/572640570.db2.gz DABXGQCIILWAOY-UWVGGRQHSA-N 0 3 187.714 2.859 10 30 AFEEHN CC[C@H]1CCCCN1[C@@H](C)CC#N 48246690 572640888 /nfs/dbraw/zinc/64/08/88/572640888.db2.gz ZJRDSUNZKVGILG-QWRGUYRKSA-N 0 3 180.295 2.553 10 30 AFEEHN C[C@H](CC#N)N1CCCCCCC1 48246632 572641776 /nfs/dbraw/zinc/64/17/76/572641776.db2.gz GUDAKBPTRXJPOI-LLVKDONJSA-N 0 3 180.295 2.555 10 30 AFEEHN C=C(CC)C[C@H](NC)c1ccoc1 85063518 572646725 /nfs/dbraw/zinc/64/67/25/572646725.db2.gz RWIASHYCJLYTPO-NSHDSACASA-N 0 3 179.263 2.896 10 30 AFEEHN C=C(CC)C[C@@H](N)c1ncccc1C 85062950 572647448 /nfs/dbraw/zinc/64/74/48/572647448.db2.gz MZSRQJFJJYSTDN-LLVKDONJSA-N 0 3 190.290 2.746 10 30 AFEEHN C=C(CC)C[C@@H](N)c1ccoc1 85063515 572647592 /nfs/dbraw/zinc/64/75/92/572647592.db2.gz SMJFGLYYOHWSLT-SNVBAGLBSA-N 0 3 165.236 2.636 10 30 AFEEHN C=C(CC)C[C@@H](NC)c1ccco1 85063178 572649000 /nfs/dbraw/zinc/64/90/00/572649000.db2.gz RZCWEYAUSWFEAF-SNVBAGLBSA-N 0 3 179.263 2.896 10 30 AFEEHN C=C(CC)C[C@H](N)c1ccoc1 85063513 572649029 /nfs/dbraw/zinc/64/90/29/572649029.db2.gz SMJFGLYYOHWSLT-JTQLQIEISA-N 0 3 165.236 2.636 10 30 AFEEHN C=C(CC)C[C@@H](N)c1cccc(C)n1 85063355 572647838 /nfs/dbraw/zinc/64/78/38/572647838.db2.gz DFMRVELRXPSKHQ-LLVKDONJSA-N 0 3 190.290 2.746 10 30 AFEEHN C=C(Cl)CN1CC[C@@H](CC)[C@@H]1C 306473003 572647842 /nfs/dbraw/zinc/64/78/42/572647842.db2.gz DABXGQCIILWAOY-VHSXEESVSA-N 0 3 187.714 2.859 10 30 AFEEHN C=C(CC)C[C@@H](N)c1cc(C)ccn1 85063426 572647927 /nfs/dbraw/zinc/64/79/27/572647927.db2.gz SAEMBYRMGFHGMO-LLVKDONJSA-N 0 3 190.290 2.746 10 30 AFEEHN C=C(CC)C[C@@H](N)c1ccco1 85063174 572648454 /nfs/dbraw/zinc/64/84/54/572648454.db2.gz SNPQUUPXTGGBGW-SECBINFHSA-N 0 3 165.236 2.636 10 30 AFEEHN C=C(CC)C[C@H](N)c1cccc(C)n1 85063352 572648784 /nfs/dbraw/zinc/64/87/84/572648784.db2.gz DFMRVELRXPSKHQ-NSHDSACASA-N 0 3 190.290 2.746 10 30 AFEEHN C=C(CC)C[C@H](N)c1cc(C)ccn1 85063424 572649060 /nfs/dbraw/zinc/64/90/60/572649060.db2.gz SAEMBYRMGFHGMO-NSHDSACASA-N 0 3 190.290 2.746 10 30 AFEEHN C=C(CC)C[C@H](NC)c1ccco1 85063177 572649131 /nfs/dbraw/zinc/64/91/31/572649131.db2.gz RZCWEYAUSWFEAF-JTQLQIEISA-N 0 3 179.263 2.896 10 30 AFEEHN C=C(CC)C[C@H](N)c1ccco1 85063171 572649254 /nfs/dbraw/zinc/64/92/54/572649254.db2.gz SNPQUUPXTGGBGW-VIFPVBQESA-N 0 3 165.236 2.636 10 30 AFEEHN C=C(CC)C[C@H](N)c1ncccc1C 85062946 572649301 /nfs/dbraw/zinc/64/93/01/572649301.db2.gz MZSRQJFJJYSTDN-NSHDSACASA-N 0 3 190.290 2.746 10 30 AFEEHN C=C(CC)C[C@@H](NC)c1ccoc1 85063521 572649369 /nfs/dbraw/zinc/64/93/69/572649369.db2.gz RWIASHYCJLYTPO-LLVKDONJSA-N 0 3 179.263 2.896 10 30 AFEEHN C=C(C)C[C@@H](N)c1ccc(C)c(C)n1 306472362 572653756 /nfs/dbraw/zinc/65/37/56/572653756.db2.gz SSKNCZHQNMGZDZ-LLVKDONJSA-N 0 3 190.290 2.664 10 30 AFEEHN C=C(Cl)CN1CC[C@@H](CC)[C@H]1C 306473001 572657691 /nfs/dbraw/zinc/65/76/91/572657691.db2.gz DABXGQCIILWAOY-NXEZZACHSA-N 0 3 187.714 2.859 10 30 AFEEHN C=C(Cl)CN1CC[C@H]2CCC[C@H]21 306492770 572659052 /nfs/dbraw/zinc/65/90/52/572659052.db2.gz RJOTVQGWGSJYSD-NXEZZACHSA-N 0 3 185.698 2.613 10 30 AFEEHN C=C(Cl)CN1CC[C@H]2CCC[C@@H]21 306492773 572660000 /nfs/dbraw/zinc/66/00/00/572660000.db2.gz RJOTVQGWGSJYSD-ZJUUUORDSA-N 0 3 185.698 2.613 10 30 AFEEHN C=C(Cl)CN1CC[C@H](CC)[C@H]1C 306473004 572662635 /nfs/dbraw/zinc/66/26/35/572662635.db2.gz DABXGQCIILWAOY-ZJUUUORDSA-N 0 3 187.714 2.859 10 30 AFEEHN C=C(C)[C@@H](NC)c1sccc1F 306466842 572663880 /nfs/dbraw/zinc/66/38/80/572663880.db2.gz JZOKLMDXIQPTHU-MRVPVSSYSA-N 0 3 185.267 2.724 10 30 AFEEHN C[C@@H](N)c1cc2ccccc2cc1C#N 238387191 572666102 /nfs/dbraw/zinc/66/61/02/572666102.db2.gz YZCAFRGAXYDRLH-SECBINFHSA-N 0 3 196.253 2.731 10 30 AFEEHN C=C(Cl)CN1C[C@@H](C)CC[C@H]1C 306553950 572670755 /nfs/dbraw/zinc/67/07/55/572670755.db2.gz JRGGWWNNLUNSAK-WCBMZHEXSA-N 0 3 187.714 2.859 10 30 AFEEHN C=C(Cl)CN(C)[C@@H]1CC[C@@H](C)C1 306549660 572670931 /nfs/dbraw/zinc/67/09/31/572670931.db2.gz SQDJPYWXUOXYAW-PSASIEDQSA-N 0 3 187.714 2.859 10 30 AFEEHN C=C[C@](C)(C(C)C)[C@H]1NC[C@H](C)S1 306543092 572673813 /nfs/dbraw/zinc/67/38/13/572673813.db2.gz ZUGPVEQUEQGTKW-GARJFASQSA-N 0 3 199.363 2.886 10 30 AFEEHN C#CCN1CCC[C@](C)(CCC)C1 307609524 572676203 /nfs/dbraw/zinc/67/62/03/572676203.db2.gz GHSCAJBFXLXWSB-LBPRGKRZSA-N 0 3 179.307 2.522 10 30 AFEEHN C=C(Cl)CN1C[C@@H](C)CC[C@@H]1C 306553956 572686236 /nfs/dbraw/zinc/68/62/36/572686236.db2.gz JRGGWWNNLUNSAK-WPRPVWTQSA-N 0 3 187.714 2.859 10 30 AFEEHN C=C(Cl)CN[C@H]1CCC(F)(F)C1 307674911 572693716 /nfs/dbraw/zinc/69/37/16/572693716.db2.gz FIJZCKVGHSOKLL-ZETCQYMHSA-N 0 3 195.640 2.516 10 30 AFEEHN C=C[C@H](NC)c1csc(C)c1C 307686501 572694189 /nfs/dbraw/zinc/69/41/89/572694189.db2.gz BOCAJYNUVGNDPC-JTQLQIEISA-N 0 3 181.304 2.811 10 30 AFEEHN C=C1CCCN(Cc2ccsc2)C1 306511975 572699601 /nfs/dbraw/zinc/69/96/01/572699601.db2.gz OLDNIQFEQQZLAT-UHFFFAOYSA-N 0 3 193.315 2.900 10 30 AFEEHN C#CCN1CCC[C@@](C)(CCC)C1 307609521 572698999 /nfs/dbraw/zinc/69/89/99/572698999.db2.gz GHSCAJBFXLXWSB-GFCCVEGCSA-N 0 3 179.307 2.522 10 30 AFEEHN CCCCCCCn1cccc1CN 117577482 572701559 /nfs/dbraw/zinc/70/15/59/572701559.db2.gz KMMKWRPLBORJBY-UHFFFAOYSA-N 0 3 194.322 2.917 10 30 AFEEHN C=C(C)[C@H](NC)c1cnc(C)cc1C 306580027 572702536 /nfs/dbraw/zinc/70/25/36/572702536.db2.gz OBGKNJQQINDDGK-LBPRGKRZSA-N 0 3 190.290 2.535 10 30 AFEEHN C#C[C@@H]1CCC[C@H](NCC(=C)Cl)C1 306626971 572703742 /nfs/dbraw/zinc/70/37/42/572703742.db2.gz IZQLUYYRTZOGTQ-MNOVXSKESA-N 0 3 197.709 2.521 10 30 AFEEHN C#C[C@@H]1CCC[C@@H](NCC(=C)Cl)C1 306626965 572705382 /nfs/dbraw/zinc/70/53/82/572705382.db2.gz IZQLUYYRTZOGTQ-GHMZBOCLSA-N 0 3 197.709 2.521 10 30 AFEEHN C#CCCNCc1coc2ccccc12 87780805 572715196 /nfs/dbraw/zinc/71/51/96/572715196.db2.gz SIJIGOLWPHMAKC-UHFFFAOYSA-N 0 3 199.253 2.546 10 30 AFEEHN C#C[C@H]1CCC[C@H](NCC(=C)Cl)C1 306626976 572716343 /nfs/dbraw/zinc/71/63/43/572716343.db2.gz IZQLUYYRTZOGTQ-QWRGUYRKSA-N 0 3 197.709 2.521 10 30 AFEEHN C=CCNCc1coc2ccccc12 87780708 572716963 /nfs/dbraw/zinc/71/69/63/572716963.db2.gz QYGILGCIUCWNCJ-UHFFFAOYSA-N 0 3 187.242 2.708 10 30 AFEEHN C[C@H](N)c1cc2ccccc2cc1C#N 238440515 572717899 /nfs/dbraw/zinc/71/78/99/572717899.db2.gz YZCAFRGAXYDRLH-VIFPVBQESA-N 0 3 196.253 2.731 10 30 AFEEHN CCC(C)(C)N[C@@H]1CCCC[C@@H]1C#N 54822819 572725768 /nfs/dbraw/zinc/72/57/68/572725768.db2.gz WDXDQEABURQTHI-GHMZBOCLSA-N 0 3 194.322 2.847 10 30 AFEEHN CCC(C)(C)N[C@@H]1CCCC[C@H]1C#N 54822821 572727702 /nfs/dbraw/zinc/72/77/02/572727702.db2.gz WDXDQEABURQTHI-WDEREUQCSA-N 0 3 194.322 2.847 10 30 AFEEHN CCC(C)(C)N[C@H]1CCCC[C@@H]1C#N 54822820 572728336 /nfs/dbraw/zinc/72/83/36/572728336.db2.gz WDXDQEABURQTHI-MNOVXSKESA-N 0 3 194.322 2.847 10 30 AFEEHN C#C[C@H]1CCC[C@@H](NCC(=C)Cl)C1 306626981 572731193 /nfs/dbraw/zinc/73/11/93/572731193.db2.gz IZQLUYYRTZOGTQ-WDEREUQCSA-N 0 3 197.709 2.521 10 30 AFEEHN CCCC/C=C\[C@@H]1C(C=O)C1(F)F 308110370 572731896 /nfs/dbraw/zinc/73/18/96/572731896.db2.gz NGQMOGYTMDIODP-CDLGPUQVSA-N 0 3 188.217 2.813 10 30 AFEEHN CCCC/C=C\[C@@H]1C(C=O)C1(F)F 308110371 572733579 /nfs/dbraw/zinc/73/35/79/572733579.db2.gz NGQMOGYTMDIODP-JJKLJZTJSA-N 0 3 188.217 2.813 10 30 AFEEHN C=CCCCCCC(=O)C1(N)CCC1 236184924 572734831 /nfs/dbraw/zinc/73/48/31/572734831.db2.gz YXMMTHRQXPYERT-UHFFFAOYSA-N 0 3 195.306 2.573 10 30 AFEEHN C=CCCCN(C)C/C=C/Cl 307902935 572747531 /nfs/dbraw/zinc/74/75/31/572747531.db2.gz PANHMJQEWPPKRP-VOTSOKGWSA-N 0 3 173.687 2.637 10 30 AFEEHN C=CCCCN(C)C/C=C\Cl 307902934 572748224 /nfs/dbraw/zinc/74/82/24/572748224.db2.gz PANHMJQEWPPKRP-SREVYHEPSA-N 0 3 173.687 2.637 10 30 AFEEHN C=C(Cl)CN[C@@H]1CC12CCCC2 306724428 572750625 /nfs/dbraw/zinc/75/06/25/572750625.db2.gz UUMQJZSAXNQQDH-SECBINFHSA-N 0 3 185.698 2.661 10 30 AFEEHN C=C(Cl)CN[C@H]1CC12CCCC2 306724429 572764625 /nfs/dbraw/zinc/76/46/25/572764625.db2.gz UUMQJZSAXNQQDH-VIFPVBQESA-N 0 3 185.698 2.661 10 30 AFEEHN C=C([C@H](CC(C)C)NC)C(F)(F)F 308126076 572771719 /nfs/dbraw/zinc/77/17/19/572771719.db2.gz AYAGZTPTKXJOLA-QMMMGPOBSA-N 0 3 195.228 2.739 10 30 AFEEHN C=C([C@@H](CC(C)C)NC)C(F)(F)F 308126075 572771783 /nfs/dbraw/zinc/77/17/83/572771783.db2.gz AYAGZTPTKXJOLA-MRVPVSSYSA-N 0 3 195.228 2.739 10 30 AFEEHN C=CC[C@H](C)[C@@H](C)NCC(=C)Cl 307928463 572774544 /nfs/dbraw/zinc/77/45/44/572774544.db2.gz AKCQIQYSUPDAMC-WCBMZHEXSA-N 0 3 187.714 2.929 10 30 AFEEHN C=CC[C@H](C)[C@H](C)NCC(=C)Cl 307928464 572774736 /nfs/dbraw/zinc/77/47/36/572774736.db2.gz AKCQIQYSUPDAMC-WPRPVWTQSA-N 0 3 187.714 2.929 10 30 AFEEHN C=CC[C@@H](C)[C@H](C)NCC(=C)Cl 307928460 572775897 /nfs/dbraw/zinc/77/58/97/572775897.db2.gz AKCQIQYSUPDAMC-SCZZXKLOSA-N 0 3 187.714 2.929 10 30 AFEEHN C=CC[C@@H](C)[C@@H](C)NCC(=C)Cl 307928458 572775987 /nfs/dbraw/zinc/77/59/87/572775987.db2.gz AKCQIQYSUPDAMC-PSASIEDQSA-N 0 3 187.714 2.929 10 30 AFEEHN C=C(Cl)CN[C@H]1C[C@@]1(C)CC 307705095 572776059 /nfs/dbraw/zinc/77/60/59/572776059.db2.gz UZGAIXDQJUPSHT-DTWKUNHWSA-N 0 3 173.687 2.517 10 30 AFEEHN C=C(Cl)CN1CC[C@H](C)C[C@H]1C 306710061 572777917 /nfs/dbraw/zinc/77/79/17/572777917.db2.gz MLEQXTMOTAYFPB-WCBMZHEXSA-N 0 3 187.714 2.859 10 30 AFEEHN C#CC[C@H](NC)c1csc(Cl)c1 306862637 572782683 /nfs/dbraw/zinc/78/26/83/572782683.db2.gz IVBBKVSSGVVEFF-QMMMGPOBSA-N 0 3 199.706 2.685 10 30 AFEEHN C#CC(C)(C)NCc1ccsc1C 306785858 572783554 /nfs/dbraw/zinc/78/35/54/572783554.db2.gz KBKDGXWVXGUOSR-UHFFFAOYSA-N 0 3 193.315 2.558 10 30 AFEEHN C=CCC(=O)[C@](C)(CC)N(CC)CC 85747368 572787979 /nfs/dbraw/zinc/78/79/79/572787979.db2.gz RXQVDXXFYGLBET-LBPRGKRZSA-N 0 3 197.322 2.642 10 30 AFEEHN C=C(CC)CC(=O)[C@@](C)(CC)N(C)C 85743049 572787948 /nfs/dbraw/zinc/78/79/48/572787948.db2.gz MPXSQXKDPPKMGC-GFCCVEGCSA-N 0 3 197.322 2.642 10 30 AFEEHN CC(C)C[C@@H]1CCN(C[C@H](C)C#N)C1 307770413 572788595 /nfs/dbraw/zinc/78/85/95/572788595.db2.gz FFKGBTSLDKAJGO-NEPJUHHUSA-N 0 3 194.322 2.514 10 30 AFEEHN CC(C)C[C@H]1CCN(C[C@H](C)C#N)C1 307770418 572788923 /nfs/dbraw/zinc/78/89/23/572788923.db2.gz FFKGBTSLDKAJGO-VXGBXAGGSA-N 0 3 194.322 2.514 10 30 AFEEHN C=CCCC(=O)C(C)(C)N(CC)CC 85738556 572789220 /nfs/dbraw/zinc/78/92/20/572789220.db2.gz IXWDENNBCNKYEW-UHFFFAOYSA-N 0 3 197.322 2.642 10 30 AFEEHN CC(C)C[C@H]1CCN([C@H](C)CC#N)C1 307768025 572789572 /nfs/dbraw/zinc/78/95/72/572789572.db2.gz BCNQYQNZRQXNEC-VXGBXAGGSA-N 0 3 194.322 2.657 10 30 AFEEHN C=C(CC)CC(=O)[C@](C)(CC)N(C)C 85743052 572789758 /nfs/dbraw/zinc/78/97/58/572789758.db2.gz MPXSQXKDPPKMGC-LBPRGKRZSA-N 0 3 197.322 2.642 10 30 AFEEHN CC(C)C[C@@H]1CCN([C@H](C)CC#N)C1 307768022 572789833 /nfs/dbraw/zinc/78/98/33/572789833.db2.gz BCNQYQNZRQXNEC-NEPJUHHUSA-N 0 3 194.322 2.657 10 30 AFEEHN CC(C)C[C@H]1CCN([C@@H](C)CC#N)C1 307768023 572790361 /nfs/dbraw/zinc/79/03/61/572790361.db2.gz BCNQYQNZRQXNEC-NWDGAFQWSA-N 0 3 194.322 2.657 10 30 AFEEHN CC(C)C[C@H]1CCN(C[C@@H](C)C#N)C1 307770415 572790492 /nfs/dbraw/zinc/79/04/92/572790492.db2.gz FFKGBTSLDKAJGO-NWDGAFQWSA-N 0 3 194.322 2.514 10 30 AFEEHN CC(C)C[C@@H]1CCN([C@@H](C)CC#N)C1 307768024 572790770 /nfs/dbraw/zinc/79/07/70/572790770.db2.gz BCNQYQNZRQXNEC-RYUDHWBXSA-N 0 3 194.322 2.657 10 30 AFEEHN C=CCCCC(=O)[C@](C)(CC)N(C)C 85743447 572790771 /nfs/dbraw/zinc/79/07/71/572790771.db2.gz BGXCEVXYCGRDDJ-LBPRGKRZSA-N 0 3 197.322 2.642 10 30 AFEEHN C#CC(C)(C)NCc1csc(C)c1 307739109 572790911 /nfs/dbraw/zinc/79/09/11/572790911.db2.gz YEKGATHKHLYHTO-UHFFFAOYSA-N 0 3 193.315 2.558 10 30 AFEEHN C=CCCCC(=O)[C@@](C)(CC)N(C)C 85743449 572790970 /nfs/dbraw/zinc/79/09/70/572790970.db2.gz BGXCEVXYCGRDDJ-GFCCVEGCSA-N 0 3 197.322 2.642 10 30 AFEEHN C=C(C)[C@@H](N)c1ccc(C)cc1OC 234844003 572791542 /nfs/dbraw/zinc/79/15/42/572791542.db2.gz AJGLWWLYESBRRF-GFCCVEGCSA-N 0 3 191.274 2.580 10 30 AFEEHN C=CCC(=O)[C@@](C)(CC)N(CC)CC 85747373 572791060 /nfs/dbraw/zinc/79/10/60/572791060.db2.gz RXQVDXXFYGLBET-GFCCVEGCSA-N 0 3 197.322 2.642 10 30 AFEEHN CC(C)C[C@@H]1CCN(C[C@@H](C)C#N)C1 307770416 572791568 /nfs/dbraw/zinc/79/15/68/572791568.db2.gz FFKGBTSLDKAJGO-RYUDHWBXSA-N 0 3 194.322 2.514 10 30 AFEEHN C=CC[C@@H](N)c1c(F)cc(C)cc1F 307717428 572797512 /nfs/dbraw/zinc/79/75/12/572797512.db2.gz MWJWXYPTOUGZGC-SNVBAGLBSA-N 0 3 197.228 2.849 10 30 AFEEHN C=C(C)C[C@@H](N)c1sccc1F 307717341 572798554 /nfs/dbraw/zinc/79/85/54/572798554.db2.gz JKQTYZUWVPECGV-MRVPVSSYSA-N 0 3 185.267 2.853 10 30 AFEEHN C#CC[C@@H](NC)c1csc(Cl)c1 306862636 572801586 /nfs/dbraw/zinc/80/15/86/572801586.db2.gz IVBBKVSSGVVEFF-MRVPVSSYSA-N 0 3 199.706 2.685 10 30 AFEEHN CC[C@@H]1CCCCN1CC(C)(C)C#N 49811395 572812717 /nfs/dbraw/zinc/81/27/17/572812717.db2.gz LUKPLSHOZFDOOR-LLVKDONJSA-N 0 3 194.322 2.801 10 30 AFEEHN CC[C@H]1CCCCN1CC(C)(C)C#N 49811396 572814529 /nfs/dbraw/zinc/81/45/29/572814529.db2.gz LUKPLSHOZFDOOR-NSHDSACASA-N 0 3 194.322 2.801 10 30 AFEEHN C=C[C@@H](N)c1cc(O)cc2ccccc12 238569812 572827728 /nfs/dbraw/zinc/82/77/28/572827728.db2.gz JZPMDTGFTODYMF-CYBMUJFWSA-N 0 3 199.253 2.731 10 30 AFEEHN C=C[C@@H](N)c1cccc2cccc(O)c12 238575038 572825900 /nfs/dbraw/zinc/82/59/00/572825900.db2.gz WCRZAQNDHNIHGV-LLVKDONJSA-N 0 3 199.253 2.731 10 30 AFEEHN C=C[C@@H](N)c1cc(O)c2ccccc2c1 238580050 572828571 /nfs/dbraw/zinc/82/85/71/572828571.db2.gz MXWDZVKQPZUROS-GFCCVEGCSA-N 0 3 199.253 2.731 10 30 AFEEHN C=CCN[C@@H]1CCc2ccsc21 306936295 572830971 /nfs/dbraw/zinc/83/09/71/572830971.db2.gz FBACJYAPNBNINF-SECBINFHSA-N 0 3 179.288 2.511 10 30 AFEEHN C#CCN(C)[C@@H](C)c1ccc(C)s1 306995030 572832481 /nfs/dbraw/zinc/83/24/81/572832481.db2.gz OZJNNFRFZJVBNN-JTQLQIEISA-N 0 3 193.315 2.683 10 30 AFEEHN C=C[C@@H](N)c1ccc2cccc(O)c2c1 238582677 572833023 /nfs/dbraw/zinc/83/30/23/572833023.db2.gz TUEOZSVFFMGHDH-GFCCVEGCSA-N 0 3 199.253 2.731 10 30 AFEEHN C=C[C@@H](N)c1ccc2c(N)cccc2c1 238582296 572834250 /nfs/dbraw/zinc/83/42/50/572834250.db2.gz IGTGJNDXGWRGBQ-GFCCVEGCSA-N 0 3 198.269 2.608 10 30 AFEEHN CCC1(NCCC#N)CCCCC1 118360919 572834435 /nfs/dbraw/zinc/83/44/35/572834435.db2.gz ARMQGHXRPDBYDS-UHFFFAOYSA-N 0 3 180.295 2.603 10 30 AFEEHN C=C[C@@H](N)c1ccc2c(O)cccc2c1 238582320 572834857 /nfs/dbraw/zinc/83/48/57/572834857.db2.gz IYJZGAVKLIFOKT-GFCCVEGCSA-N 0 3 199.253 2.731 10 30 AFEEHN C=C[C@@H](N)c1ccc2ccc(N)cc2c1 238582556 572835037 /nfs/dbraw/zinc/83/50/37/572835037.db2.gz OZDGOKAMVLIXTA-CYBMUJFWSA-N 0 3 198.269 2.608 10 30 AFEEHN C#CC[C@H](NC)c1csc(C)c1C 306938957 572835473 /nfs/dbraw/zinc/83/54/73/572835473.db2.gz KFNJIJCWOOIDBU-NSHDSACASA-N 0 3 193.315 2.649 10 30 AFEEHN C=C[C@@H](N)c1ccc2ccccc2c1N 238582777 572835588 /nfs/dbraw/zinc/83/55/88/572835588.db2.gz CEHIZAPFXHQZLK-GFCCVEGCSA-N 0 3 198.269 2.608 10 30 AFEEHN C=C[C@@H](N)c1ccc2ccc(O)cc2c1 238582594 572835597 /nfs/dbraw/zinc/83/55/97/572835597.db2.gz CWBYHLMEVUJAJH-CYBMUJFWSA-N 0 3 199.253 2.731 10 30 AFEEHN C=C[C@@H](N)c1ccc2cccc(N)c2c1 238582655 572835639 /nfs/dbraw/zinc/83/56/39/572835639.db2.gz PYWRIUXLLFXXOQ-GFCCVEGCSA-N 0 3 198.269 2.608 10 30 AFEEHN C=C(Cl)CN(C)[C@@H](C)C1CCC1 307956373 572836817 /nfs/dbraw/zinc/83/68/17/572836817.db2.gz FXOWRZVSUZOCCQ-VIFPVBQESA-N 0 3 187.714 2.859 10 30 AFEEHN C=CCN[C@H]1CCc2ccsc21 306936297 572837581 /nfs/dbraw/zinc/83/75/81/572837581.db2.gz FBACJYAPNBNINF-VIFPVBQESA-N 0 3 179.288 2.511 10 30 AFEEHN C=C(Cl)CN(C)[C@H](C)C1CCC1 307956372 572837642 /nfs/dbraw/zinc/83/76/42/572837642.db2.gz FXOWRZVSUZOCCQ-SECBINFHSA-N 0 3 187.714 2.859 10 30 AFEEHN C=C(C)CC(=O)C(C)(C)N(CC)CC 86023882 572844465 /nfs/dbraw/zinc/84/44/65/572844465.db2.gz ZFNWYEMSQSKNAY-UHFFFAOYSA-N 0 3 197.322 2.642 10 30 AFEEHN C=C(C)[C@@H](NCCC)c1ccncc1 86025933 572844579 /nfs/dbraw/zinc/84/45/79/572844579.db2.gz STMUZYLYVVCHOV-GFCCVEGCSA-N 0 3 190.290 2.698 10 30 AFEEHN C=C(C)C(=O)[C@@](C)(CC)N(CC)CC 86023943 572845017 /nfs/dbraw/zinc/84/50/17/572845017.db2.gz JSDCRISQXHHESF-GFCCVEGCSA-N 0 3 197.322 2.642 10 30 AFEEHN C=C(C)[C@@H](N)c1cccc(OCC)c1 86024421 572845048 /nfs/dbraw/zinc/84/50/48/572845048.db2.gz WAENMMWTZIYKSW-GFCCVEGCSA-N 0 3 191.274 2.661 10 30 AFEEHN C=C(C)[C@@H](NC)c1cccc(OC)c1 86024380 572845347 /nfs/dbraw/zinc/84/53/47/572845347.db2.gz RALWFAXOEAPWAL-GFCCVEGCSA-N 0 3 191.274 2.532 10 30 AFEEHN C=C(C)[C@@H](NC)c1ccc(OC)cc1 86024206 572845589 /nfs/dbraw/zinc/84/55/89/572845589.db2.gz AOWFJAFFYPPKHO-GFCCVEGCSA-N 0 3 191.274 2.532 10 30 AFEEHN C=C(C)[C@H](NC)c1cccc(OC)c1 86024376 572845753 /nfs/dbraw/zinc/84/57/53/572845753.db2.gz RALWFAXOEAPWAL-LBPRGKRZSA-N 0 3 191.274 2.532 10 30 AFEEHN C=C(C)[C@@H](NCCC)c1cccnc1 86025875 572845794 /nfs/dbraw/zinc/84/57/94/572845794.db2.gz PAJMMJJVQJSAJV-GFCCVEGCSA-N 0 3 190.290 2.698 10 30 AFEEHN C=C(C)[C@H](NCCC)c1ccncc1 86025937 572846056 /nfs/dbraw/zinc/84/60/56/572846056.db2.gz STMUZYLYVVCHOV-LBPRGKRZSA-N 0 3 190.290 2.698 10 30 AFEEHN C=C(C)[C@H](NC)c1ccccc1OC 86024268 572846120 /nfs/dbraw/zinc/84/61/20/572846120.db2.gz ISSHJJUOGGXNLW-LBPRGKRZSA-N 0 3 191.274 2.532 10 30 AFEEHN C=C(Cl)CN[C@H](C)[C@H]1CC1(C)C 307959456 572846372 /nfs/dbraw/zinc/84/63/72/572846372.db2.gz UXJYFNSOEIMTID-RKDXNWHRSA-N 0 3 187.714 2.763 10 30 AFEEHN C=C(Cl)CN[C@@H](C)[C@H]1CC1(C)C 307959454 572846404 /nfs/dbraw/zinc/84/64/04/572846404.db2.gz UXJYFNSOEIMTID-DTWKUNHWSA-N 0 3 187.714 2.763 10 30 AFEEHN C=C(C)C(=O)[C@](C)(CC)N(CC)CC 86023938 572846731 /nfs/dbraw/zinc/84/67/31/572846731.db2.gz JSDCRISQXHHESF-LBPRGKRZSA-N 0 3 197.322 2.642 10 30 AFEEHN C=CCCCCNc1ccncc1 308152307 572846809 /nfs/dbraw/zinc/84/68/09/572846809.db2.gz RNXGNCWJRIFGDS-UHFFFAOYSA-N 0 3 176.263 2.850 10 30 AFEEHN C=C(C)[C@@H](NCCC)c1ccccn1 86025818 572846825 /nfs/dbraw/zinc/84/68/25/572846825.db2.gz ATYVEUPMXJADPD-GFCCVEGCSA-N 0 3 190.290 2.698 10 30 AFEEHN C=C[C@H](NCC)c1cncc(Cl)c1 307959063 572846828 /nfs/dbraw/zinc/84/68/28/572846828.db2.gz PRVRDIFTLVBURW-JTQLQIEISA-N 0 3 196.681 2.572 10 30 AFEEHN C=C(C)[C@H](NCCC)c1cccnc1 86025880 572846853 /nfs/dbraw/zinc/84/68/53/572846853.db2.gz PAJMMJJVQJSAJV-LBPRGKRZSA-N 0 3 190.290 2.698 10 30 AFEEHN C=C(C)[C@H](NCC)c1ccsc1 86025987 572847052 /nfs/dbraw/zinc/84/70/52/572847052.db2.gz VFBZSFISVGYWLG-JTQLQIEISA-N 0 3 181.304 2.975 10 30 AFEEHN C=C(C)[C@H](N)c1cccc(OCC)c1 86024424 572847087 /nfs/dbraw/zinc/84/70/87/572847087.db2.gz WAENMMWTZIYKSW-LBPRGKRZSA-N 0 3 191.274 2.661 10 30 AFEEHN C=C(C)[C@@H](NCC)c1ccsc1 86025979 572847109 /nfs/dbraw/zinc/84/71/09/572847109.db2.gz VFBZSFISVGYWLG-SNVBAGLBSA-N 0 3 181.304 2.975 10 30 AFEEHN C=C(Cl)CN[C@@H](C)[C@@H]1CC1(C)C 307959455 572847129 /nfs/dbraw/zinc/84/71/29/572847129.db2.gz UXJYFNSOEIMTID-IUCAKERBSA-N 0 3 187.714 2.763 10 30 AFEEHN C=C[C@@H](NCC)c1cncc(Cl)c1 307959064 572847246 /nfs/dbraw/zinc/84/72/46/572847246.db2.gz PRVRDIFTLVBURW-SNVBAGLBSA-N 0 3 196.681 2.572 10 30 AFEEHN C=C(Cl)CN[C@H](C)[C@@H]1CC1(C)C 307959453 572847371 /nfs/dbraw/zinc/84/73/71/572847371.db2.gz UXJYFNSOEIMTID-BDAKNGLRSA-N 0 3 187.714 2.763 10 30 AFEEHN C=C(C)[C@H](NCC)c1cccc(C)n1 86056189 572847612 /nfs/dbraw/zinc/84/76/12/572847612.db2.gz YYGNSFCOHRGTTE-LBPRGKRZSA-N 0 3 190.290 2.617 10 30 AFEEHN C=C(C)[C@H](N)c1nccc2ccccc12 86056346 572847621 /nfs/dbraw/zinc/84/76/21/572847621.db2.gz WJNZKCKYPYHABK-LBPRGKRZSA-N 0 3 198.269 2.811 10 30 AFEEHN C=C(C)[C@H](N)c1ccc2ncccc2c1 86056121 572848286 /nfs/dbraw/zinc/84/82/86/572848286.db2.gz WVLJWVXBOXMAJG-ZDUSSCGKSA-N 0 3 198.269 2.811 10 30 AFEEHN C=C(C)[C@@H](NCC)c1cc(C)ccn1 86056299 572847793 /nfs/dbraw/zinc/84/77/93/572847793.db2.gz MJSLOWVSOUHQJH-GFCCVEGCSA-N 0 3 190.290 2.617 10 30 AFEEHN C=C(C)[C@@H](N)c1ccc2ccccc2n1 86056138 572847911 /nfs/dbraw/zinc/84/79/11/572847911.db2.gz BNPKLDLELMESJR-CYBMUJFWSA-N 0 3 198.269 2.811 10 30 AFEEHN C=C(C)[C@H](NCC)c1ccco1 86055710 572847935 /nfs/dbraw/zinc/84/79/35/572847935.db2.gz AXLBISUHXUKRRD-JTQLQIEISA-N 0 3 165.236 2.506 10 30 AFEEHN C=C(C)[C@H](N)c1ccc2ccccc2n1 86056135 572848089 /nfs/dbraw/zinc/84/80/89/572848089.db2.gz BNPKLDLELMESJR-ZDUSSCGKSA-N 0 3 198.269 2.811 10 30 AFEEHN C=C(C)[C@@H](NCC)c1ccco1 86055708 572848146 /nfs/dbraw/zinc/84/81/46/572848146.db2.gz AXLBISUHXUKRRD-SNVBAGLBSA-N 0 3 165.236 2.506 10 30 AFEEHN C=C(C)[C@@H](NCC)c1ccoc1 86056399 572848240 /nfs/dbraw/zinc/84/82/40/572848240.db2.gz OTTLMYQIOLCJMD-SNVBAGLBSA-N 0 3 165.236 2.506 10 30 AFEEHN C=C(C)[C@H](NCC)c1cc(C)ccn1 86056301 572848377 /nfs/dbraw/zinc/84/83/77/572848377.db2.gz MJSLOWVSOUHQJH-LBPRGKRZSA-N 0 3 190.290 2.617 10 30 AFEEHN C=C(C)[C@@H](N)c1nccc2ccccc12 86056349 572848608 /nfs/dbraw/zinc/84/86/08/572848608.db2.gz WJNZKCKYPYHABK-GFCCVEGCSA-N 0 3 198.269 2.811 10 30 AFEEHN C=C(C)[C@H](NCCC)c1ccoc1 86056407 572849181 /nfs/dbraw/zinc/84/91/81/572849181.db2.gz FSNYNOVLFRGILS-NSHDSACASA-N 0 3 179.263 2.896 10 30 AFEEHN C=C(C)[C@@H](NCC)c1cccc(C)n1 86056188 572849733 /nfs/dbraw/zinc/84/97/33/572849733.db2.gz YYGNSFCOHRGTTE-GFCCVEGCSA-N 0 3 190.290 2.617 10 30 AFEEHN C=C(C)[C@@H](NCCC)c1ccoc1 86056406 572850064 /nfs/dbraw/zinc/85/00/64/572850064.db2.gz FSNYNOVLFRGILS-LLVKDONJSA-N 0 3 179.263 2.896 10 30 AFEEHN C=C(C)C[C@@H](NCC)c1ccccn1 86060748 572850934 /nfs/dbraw/zinc/85/09/34/572850934.db2.gz PUICBBJZWAKJGL-GFCCVEGCSA-N 0 3 190.290 2.698 10 30 AFEEHN C=C(C)C[C@H](NC)c1ccoc1 86061741 572850977 /nfs/dbraw/zinc/85/09/77/572850977.db2.gz SZDZSIDELDZEIT-JTQLQIEISA-N 0 3 165.236 2.506 10 30 AFEEHN C=C(C)C[C@@H](NC)c1cccc(C)n1 86061642 572851189 /nfs/dbraw/zinc/85/11/89/572851189.db2.gz JPAMKENQUFBVDM-GFCCVEGCSA-N 0 3 190.290 2.617 10 30 AFEEHN C=C(C)C[C@H](NC)c1ccco1 86061451 572851230 /nfs/dbraw/zinc/85/12/30/572851230.db2.gz YKGYZZHAIYXDOS-VIFPVBQESA-N 0 3 165.236 2.506 10 30 AFEEHN C=C(C)C[C@H](NCC)c1ccco1 86061454 572851238 /nfs/dbraw/zinc/85/12/38/572851238.db2.gz SMEUOOVVUPYFQR-JTQLQIEISA-N 0 3 179.263 2.896 10 30 AFEEHN C=C(C)C[C@H](NC)c1cc(C)ccn1 86061699 572851315 /nfs/dbraw/zinc/85/13/15/572851315.db2.gz IMJXVMDDBRLFAI-NSHDSACASA-N 0 3 190.290 2.617 10 30 AFEEHN C=C(C)C[C@@H](NCC)c1ccoc1 86061744 572851382 /nfs/dbraw/zinc/85/13/82/572851382.db2.gz KTNIFFQLCZJQKR-LLVKDONJSA-N 0 3 179.263 2.896 10 30 AFEEHN C=C(C)C[C@@H](NC)c1ncccc1C 86061251 572851550 /nfs/dbraw/zinc/85/15/50/572851550.db2.gz BNRPYPSOTOTJDJ-LLVKDONJSA-N 0 3 190.290 2.617 10 30 AFEEHN C=C(C)C[C@@H](NC)c1ccoc1 86061742 572852496 /nfs/dbraw/zinc/85/24/96/572852496.db2.gz SZDZSIDELDZEIT-SNVBAGLBSA-N 0 3 165.236 2.506 10 30 AFEEHN C=C(C)C[C@H](NCC)c1ccoc1 86061743 572852597 /nfs/dbraw/zinc/85/25/97/572852597.db2.gz KTNIFFQLCZJQKR-NSHDSACASA-N 0 3 179.263 2.896 10 30 AFEEHN C=C(C)C[C@H](NC)c1ncccc1C 86061253 572852764 /nfs/dbraw/zinc/85/27/64/572852764.db2.gz BNRPYPSOTOTJDJ-NSHDSACASA-N 0 3 190.290 2.617 10 30 AFEEHN C=C(C)C[C@@H](NC)c1cc(C)ccn1 86061697 572853054 /nfs/dbraw/zinc/85/30/54/572853054.db2.gz IMJXVMDDBRLFAI-LLVKDONJSA-N 0 3 190.290 2.617 10 30 AFEEHN C=C(C)C[C@@H](NC)c1ccco1 86061453 572853103 /nfs/dbraw/zinc/85/31/03/572853103.db2.gz YKGYZZHAIYXDOS-SECBINFHSA-N 0 3 165.236 2.506 10 30 AFEEHN C=C(C)C[C@@H](NCC)c1ccco1 86061456 572853327 /nfs/dbraw/zinc/85/33/27/572853327.db2.gz SMEUOOVVUPYFQR-SNVBAGLBSA-N 0 3 179.263 2.896 10 30 AFEEHN C=C[C@H](N)c1cc(O)cc2ccccc12 238596822 572859623 /nfs/dbraw/zinc/85/96/23/572859623.db2.gz JZPMDTGFTODYMF-ZDUSSCGKSA-N 0 3 199.253 2.731 10 30 AFEEHN C=C(C)[C@@H](NC)c1cccc(F)c1C 307088948 572864453 /nfs/dbraw/zinc/86/44/53/572864453.db2.gz NNNKPDWYFCVDND-GFCCVEGCSA-N 0 3 193.265 2.971 10 30 AFEEHN C=CCC(N)(CC=C)c1ccco1 238599148 572861807 /nfs/dbraw/zinc/86/18/07/572861807.db2.gz ATVZRADKAIQXOH-UHFFFAOYSA-N 0 3 177.247 2.586 10 30 AFEEHN C=C[C@H](N)c1ccc2ccccc2c1N 238610518 572862864 /nfs/dbraw/zinc/86/28/64/572862864.db2.gz CEHIZAPFXHQZLK-LBPRGKRZSA-N 0 3 198.269 2.608 10 30 AFEEHN C=C[C@H]([NH3+])c1cc2ccccc2cc1[O-] 238608930 572862955 /nfs/dbraw/zinc/86/29/55/572862955.db2.gz KBMYOMHBUCYQGK-LBPRGKRZSA-N 0 3 199.253 2.731 10 30 AFEEHN C=C[C@H](N)c1ccc2c(O)cccc2c1 238610026 572862989 /nfs/dbraw/zinc/86/29/89/572862989.db2.gz IYJZGAVKLIFOKT-LBPRGKRZSA-N 0 3 199.253 2.731 10 30 AFEEHN C=C[C@H](N)c1ccc2ccc(O)cc2c1 238610324 572863151 /nfs/dbraw/zinc/86/31/51/572863151.db2.gz CWBYHLMEVUJAJH-ZDUSSCGKSA-N 0 3 199.253 2.731 10 30 AFEEHN C=C[C@H](N)c1ccc2cccc(O)c2c1 238610407 572863174 /nfs/dbraw/zinc/86/31/74/572863174.db2.gz TUEOZSVFFMGHDH-LBPRGKRZSA-N 0 3 199.253 2.731 10 30 AFEEHN C=C[C@H](N)c1ccc2cc(N)ccc2c1 238610142 572863335 /nfs/dbraw/zinc/86/33/35/572863335.db2.gz GPOJRXVVXQYQMM-ZDUSSCGKSA-N 0 3 198.269 2.608 10 30 AFEEHN C=C[C@H](N)c1cc2ccccc2cc1N 238608907 572863362 /nfs/dbraw/zinc/86/33/62/572863362.db2.gz COKVQPXRPNFTDW-LBPRGKRZSA-N 0 3 198.269 2.608 10 30 AFEEHN C=C[C@H](N)c1ccc2c(N)cccc2c1 238609998 572863422 /nfs/dbraw/zinc/86/34/22/572863422.db2.gz IGTGJNDXGWRGBQ-LBPRGKRZSA-N 0 3 198.269 2.608 10 30 AFEEHN CC#CC[C@H](NC)c1sccc1F 307021921 572863485 /nfs/dbraw/zinc/86/34/85/572863485.db2.gz BOHJFLVGBLTLRM-VIFPVBQESA-N 0 3 197.278 2.561 10 30 AFEEHN C=C[C@H](N)c1ccc2ccc(N)cc2c1 238610284 572863750 /nfs/dbraw/zinc/86/37/50/572863750.db2.gz OZDGOKAMVLIXTA-ZDUSSCGKSA-N 0 3 198.269 2.608 10 30 AFEEHN C=C[C@H](N)c1ccc2cccc(N)c2c1 238610387 572863764 /nfs/dbraw/zinc/86/37/64/572863764.db2.gz PYWRIUXLLFXXOQ-LBPRGKRZSA-N 0 3 198.269 2.608 10 30 AFEEHN CCC/C=C(/C=N\CCCO)CC 308154508 572865898 /nfs/dbraw/zinc/86/58/98/572865898.db2.gz LUPXATNSSHCGSO-LBNSGORRSA-N 0 3 183.295 2.576 10 30 AFEEHN CCC/C=C(/C=N/CCCO)CC 308154507 572866594 /nfs/dbraw/zinc/86/65/94/572866594.db2.gz LUPXATNSSHCGSO-CRALUGIISA-N 0 3 183.295 2.576 10 30 AFEEHN C=CC(=C)[C@@H](NC)c1ccccc1 75563915 572866861 /nfs/dbraw/zinc/86/68/61/572866861.db2.gz UQWZKRZWGIKYRX-GFCCVEGCSA-N 0 3 173.259 2.689 10 30 AFEEHN C=CC(=C)[C@H](NC)c1ccccc1 75563917 572868546 /nfs/dbraw/zinc/86/85/46/572868546.db2.gz UQWZKRZWGIKYRX-LBPRGKRZSA-N 0 3 173.259 2.689 10 30 AFEEHN C=C(C)[C@H](NC)c1cccc(F)c1C 307088949 572869144 /nfs/dbraw/zinc/86/91/44/572869144.db2.gz NNNKPDWYFCVDND-LBPRGKRZSA-N 0 3 193.265 2.971 10 30 AFEEHN C#CCCNCc1sccc1Cl 307966228 572870146 /nfs/dbraw/zinc/87/01/46/572870146.db2.gz RLRZTMGXLDJRNM-UHFFFAOYSA-N 0 3 199.706 2.514 10 30 AFEEHN C=CCN(C/C=C/Cl)CC1CC1 308155590 572873122 /nfs/dbraw/zinc/87/31/22/572873122.db2.gz ORFNFHPXGOCSQO-ZZXKWVIFSA-N 0 3 185.698 2.637 10 30 AFEEHN C=CCN(C/C=C\Cl)CC1CC1 308155586 572873615 /nfs/dbraw/zinc/87/36/15/572873615.db2.gz ORFNFHPXGOCSQO-UTCJRWHESA-N 0 3 185.698 2.637 10 30 AFEEHN CC#CCN[C@H](C)c1csc(C)c1 307085496 572874060 /nfs/dbraw/zinc/87/40/60/572874060.db2.gz XOQYRRUHLMLRJY-SNVBAGLBSA-N 0 3 193.315 2.730 10 30 AFEEHN CC#CCN[C@@H](C)c1csc(C)c1 307085495 572878862 /nfs/dbraw/zinc/87/88/62/572878862.db2.gz XOQYRRUHLMLRJY-JTQLQIEISA-N 0 3 193.315 2.730 10 30 AFEEHN CC#CC[C@@H](NC)c1sccc1F 307021920 572879452 /nfs/dbraw/zinc/87/94/52/572879452.db2.gz BOHJFLVGBLTLRM-SECBINFHSA-N 0 3 197.278 2.561 10 30 AFEEHN C=C(C)CCN1CC[C@@H](C)[C@H](F)C1 307066568 572881383 /nfs/dbraw/zinc/88/13/83/572881383.db2.gz RSMIOXGLVHQTKM-GHMZBOCLSA-N 0 3 185.286 2.633 10 30 AFEEHN C=C[C@H]1NCCc2c1[nH]c1ccccc21 75600864 572883796 /nfs/dbraw/zinc/88/37/96/572883796.db2.gz VHFILSRTOPUJIW-LLVKDONJSA-N 0 3 198.269 2.541 10 30 AFEEHN C=C[C@@H]1NCCc2c1[nH]c1ccccc21 75600866 572884426 /nfs/dbraw/zinc/88/44/26/572884426.db2.gz VHFILSRTOPUJIW-NSHDSACASA-N 0 3 198.269 2.541 10 30 AFEEHN C=C(C)[C@H](NC)c1csc(C)c1 307060015 572893829 /nfs/dbraw/zinc/89/38/29/572893829.db2.gz NCDAIMZGYBYESF-JTQLQIEISA-N 0 3 181.304 2.893 10 30 AFEEHN C=C([C@@H](CCCC)NC)C(F)(F)F 308163645 572894623 /nfs/dbraw/zinc/89/46/23/572894623.db2.gz YGLYYOSRWZPTTA-MRVPVSSYSA-N 0 3 195.228 2.883 10 30 AFEEHN C=C[C@@H]1NCCc2c1ccc1cc[nH]c21 75781473 572896663 /nfs/dbraw/zinc/89/66/63/572896663.db2.gz JCEDJTDQKNIBFX-LBPRGKRZSA-N 0 3 198.269 2.541 10 30 AFEEHN C=C([C@H](CCCC)NC)C(F)(F)F 308163647 572896664 /nfs/dbraw/zinc/89/66/64/572896664.db2.gz YGLYYOSRWZPTTA-QMMMGPOBSA-N 0 3 195.228 2.883 10 30 AFEEHN C=C[C@H]1NCCc2cc3[nH]ccc3cc21 75788704 572896717 /nfs/dbraw/zinc/89/67/17/572896717.db2.gz HXOGRTLGSKTXOA-GFCCVEGCSA-N 0 3 198.269 2.541 10 30 AFEEHN C=C[C@@H]1NCCc2cc3cc[nH]c3cc21 75785204 572896889 /nfs/dbraw/zinc/89/68/89/572896889.db2.gz GIGAIUPRQQXSDS-LBPRGKRZSA-N 0 3 198.269 2.541 10 30 AFEEHN C=C[C@H]1NCCc2ccc3[nH]ccc3c21 75785194 572897040 /nfs/dbraw/zinc/89/70/40/572897040.db2.gz SRZXJIYBKMZKFE-LLVKDONJSA-N 0 3 198.269 2.541 10 30 AFEEHN C=C[C@H]1NCCc2ccc3cc[nH]c3c21 75788686 572897541 /nfs/dbraw/zinc/89/75/41/572897541.db2.gz URESTNJDGGUMJQ-LLVKDONJSA-N 0 3 198.269 2.541 10 30 AFEEHN C=C[C@@H]1NCCc2cc3[nH]ccc3cc21 75788705 572897760 /nfs/dbraw/zinc/89/77/60/572897760.db2.gz HXOGRTLGSKTXOA-LBPRGKRZSA-N 0 3 198.269 2.541 10 30 AFEEHN C=C[C@H]1NCCc2c1ccc1cc[nH]c21 75781466 572897837 /nfs/dbraw/zinc/89/78/37/572897837.db2.gz JCEDJTDQKNIBFX-GFCCVEGCSA-N 0 3 198.269 2.541 10 30 AFEEHN C=C[C@@H]1NCCc2ccc3cc[nH]c3c21 75788690 572897940 /nfs/dbraw/zinc/89/79/40/572897940.db2.gz URESTNJDGGUMJQ-NSHDSACASA-N 0 3 198.269 2.541 10 30 AFEEHN C[C@H](CC#N)NCC1C(C)(C)C1(C)C 86240001 572898451 /nfs/dbraw/zinc/89/84/51/572898451.db2.gz WFCVHGZYWBPVOB-SECBINFHSA-N 0 3 194.322 2.560 10 30 AFEEHN CC[C@@H](CC#N)NC1C(C)(C)C1(C)C 86240190 572898615 /nfs/dbraw/zinc/89/86/15/572898615.db2.gz PHDKFOVMQXZIDM-VIFPVBQESA-N 0 3 194.322 2.703 10 30 AFEEHN C=C[C@@H]1NCCc2ccc3[nH]ccc3c21 75785196 572898890 /nfs/dbraw/zinc/89/88/90/572898890.db2.gz SRZXJIYBKMZKFE-NSHDSACASA-N 0 3 198.269 2.541 10 30 AFEEHN CC[C@H](CC#N)NC1C(C)(C)C1(C)C 86240191 572899027 /nfs/dbraw/zinc/89/90/27/572899027.db2.gz PHDKFOVMQXZIDM-SECBINFHSA-N 0 3 194.322 2.703 10 30 AFEEHN C[C@@H](CC#N)NCC1C(C)(C)C1(C)C 86240000 572899274 /nfs/dbraw/zinc/89/92/74/572899274.db2.gz WFCVHGZYWBPVOB-VIFPVBQESA-N 0 3 194.322 2.560 10 30 AFEEHN CCCC(C#N)C(=O)CC(C)C 86314281 572912652 /nfs/dbraw/zinc/91/26/52/572912652.db2.gz OBWPFAIFEBULQN-VIFPVBQESA-N 0 3 167.252 2.541 10 30 AFEEHN CCCC(C#N)C(=O)CC(C)(C)C 86314221 572913628 /nfs/dbraw/zinc/91/36/28/572913628.db2.gz BYWHHTXPGPILOV-VIFPVBQESA-N 0 3 181.279 2.932 10 30 AFEEHN CCCC(C#N)C(=O)[C@H](C)CC 86314454 572912174 /nfs/dbraw/zinc/91/21/74/572912174.db2.gz HLFCHLBSRVVKFR-RKDXNWHRSA-N 0 3 167.252 2.541 10 30 AFEEHN CCCC(C#N)C(=O)C(C)(C)CC 86314301 572912101 /nfs/dbraw/zinc/91/21/01/572912101.db2.gz RXWOEZURHPIAFI-VIFPVBQESA-N 0 3 181.279 2.932 10 30 AFEEHN CCCC(C#N)C(=O)[C@H](C)CCC 86314421 572912142 /nfs/dbraw/zinc/91/21/42/572912142.db2.gz HEHVJOCHIGCAFB-ZJUUUORDSA-N 0 3 181.279 2.932 10 30 AFEEHN CCCC(C#N)C(=O)C(C)(C)CC 86314302 572912168 /nfs/dbraw/zinc/91/21/68/572912168.db2.gz RXWOEZURHPIAFI-SECBINFHSA-N 0 3 181.279 2.932 10 30 AFEEHN CCCC(C#N)C(=O)c1occc1C 86314244 572912567 /nfs/dbraw/zinc/91/25/67/572912567.db2.gz LBOKNSSKHVGCRF-SECBINFHSA-N 0 3 191.230 2.711 10 30 AFEEHN CCCC(C#N)C(=O)C(CC)CC 86314420 572912595 /nfs/dbraw/zinc/91/25/95/572912595.db2.gz FCFYAIALWFPXGZ-SNVBAGLBSA-N 0 3 181.279 2.932 10 30 AFEEHN CCCC(C#N)C(=O)c1ccc(C)o1 86314382 572912616 /nfs/dbraw/zinc/91/26/16/572912616.db2.gz OLTJQJQRAYIZLX-SECBINFHSA-N 0 3 191.230 2.711 10 30 AFEEHN CCCC(C#N)C(=O)[C@@H](C)CC 86314452 572912621 /nfs/dbraw/zinc/91/26/21/572912621.db2.gz HLFCHLBSRVVKFR-DTWKUNHWSA-N 0 3 167.252 2.541 10 30 AFEEHN CCCC(C#N)C(=O)c1ccc(C)o1 86314381 572912634 /nfs/dbraw/zinc/91/26/34/572912634.db2.gz OLTJQJQRAYIZLX-VIFPVBQESA-N 0 3 191.230 2.711 10 30 AFEEHN CCCC(C#N)C(=O)C1CCCC1 86314343 572912697 /nfs/dbraw/zinc/91/26/97/572912697.db2.gz RWWONEUDHGBKST-JTQLQIEISA-N 0 3 179.263 2.686 10 30 AFEEHN CCCC(C#N)C(=O)c1occc1C 86314243 572913952 /nfs/dbraw/zinc/91/39/52/572913952.db2.gz LBOKNSSKHVGCRF-VIFPVBQESA-N 0 3 191.230 2.711 10 30 AFEEHN CCCC(C#N)C(=O)c1cccs1 86314370 572913007 /nfs/dbraw/zinc/91/30/07/572913007.db2.gz KLMGBMDLPZHYAD-MRVPVSSYSA-N 0 3 193.271 2.871 10 30 AFEEHN CCCC(C#N)C(=O)C1CCCC1 86314344 572913181 /nfs/dbraw/zinc/91/31/81/572913181.db2.gz RWWONEUDHGBKST-SNVBAGLBSA-N 0 3 179.263 2.686 10 30 AFEEHN CCCC(C#N)C(=O)[C@H](C)C(C)C 86314337 572913416 /nfs/dbraw/zinc/91/34/16/572913416.db2.gz XGCYQKXBOSUYHK-ZJUUUORDSA-N 0 3 181.279 2.787 10 30 AFEEHN CCCC(C#N)C(=O)[C@@H](C)C(C)C 86314336 572913433 /nfs/dbraw/zinc/91/34/33/572913433.db2.gz XGCYQKXBOSUYHK-VHSXEESVSA-N 0 3 181.279 2.787 10 30 AFEEHN CCCC(C#N)C(=O)[C@@H](C)C(C)C 86314335 572913846 /nfs/dbraw/zinc/91/38/46/572913846.db2.gz XGCYQKXBOSUYHK-UWVGGRQHSA-N 0 3 181.279 2.787 10 30 AFEEHN CCCC(C#N)C(=O)CC(C)(C)C 86314222 572914202 /nfs/dbraw/zinc/91/42/02/572914202.db2.gz BYWHHTXPGPILOV-SECBINFHSA-N 0 3 181.279 2.932 10 30 AFEEHN CCCC(C#N)C(=O)C(CC)CC 86314419 572915111 /nfs/dbraw/zinc/91/51/11/572915111.db2.gz FCFYAIALWFPXGZ-JTQLQIEISA-N 0 3 181.279 2.932 10 30 AFEEHN CCCC(C#N)C(=O)CC(C)C 86314282 572914355 /nfs/dbraw/zinc/91/43/55/572914355.db2.gz OBWPFAIFEBULQN-SECBINFHSA-N 0 3 167.252 2.541 10 30 AFEEHN CCCC(C#N)C(=O)CCC(C)C 86314443 572914457 /nfs/dbraw/zinc/91/44/57/572914457.db2.gz XPAFEGKQGLEVSI-JTQLQIEISA-N 0 3 181.279 2.932 10 30 AFEEHN CCCC(C#N)C(=O)CCC(C)C 86314444 572914464 /nfs/dbraw/zinc/91/44/64/572914464.db2.gz XPAFEGKQGLEVSI-SNVBAGLBSA-N 0 3 181.279 2.932 10 30 AFEEHN CCCC(C#N)C(=O)C(C)(C)C 86314412 572914487 /nfs/dbraw/zinc/91/44/87/572914487.db2.gz JDTZIXWIQOZMRW-MRVPVSSYSA-N 0 3 167.252 2.541 10 30 AFEEHN CCCC(C#N)C(=O)C(C)(C)C 86314411 572914641 /nfs/dbraw/zinc/91/46/41/572914641.db2.gz JDTZIXWIQOZMRW-QMMMGPOBSA-N 0 3 167.252 2.541 10 30 AFEEHN CCCC(C#N)C(=O)[C@H](C)CC 86314453 572914959 /nfs/dbraw/zinc/91/49/59/572914959.db2.gz HLFCHLBSRVVKFR-BDAKNGLRSA-N 0 3 167.252 2.541 10 30 AFEEHN CCCC(C#N)C(=O)[C@H](C)C(C)C 86314338 572915031 /nfs/dbraw/zinc/91/50/31/572915031.db2.gz XGCYQKXBOSUYHK-NXEZZACHSA-N 0 3 181.279 2.787 10 30 AFEEHN CCCC(C#N)C(=O)c1cccs1 86314369 572915063 /nfs/dbraw/zinc/91/50/63/572915063.db2.gz KLMGBMDLPZHYAD-QMMMGPOBSA-N 0 3 193.271 2.871 10 30 AFEEHN CCCC(C#N)C(=O)[C@@H](C)CC 86314451 572915070 /nfs/dbraw/zinc/91/50/70/572915070.db2.gz HLFCHLBSRVVKFR-IUCAKERBSA-N 0 3 167.252 2.541 10 30 AFEEHN C=CC[C@H](NC#CC)c1ccccc1 238038636 572916079 /nfs/dbraw/zinc/91/60/79/572916079.db2.gz JQBJWHRBRIBQGM-ZDUSSCGKSA-N 0 3 185.270 2.874 10 30 AFEEHN C#CCCNCc1cc(Cl)cs1 86332883 572916128 /nfs/dbraw/zinc/91/61/28/572916128.db2.gz YXKHYQKJTCRGTN-UHFFFAOYSA-N 0 3 199.706 2.514 10 30 AFEEHN C=CCN[C@@H](CC=C)c1ccco1 238073841 572920983 /nfs/dbraw/zinc/92/09/83/572920983.db2.gz PFHBRUBAPSKJOR-JTQLQIEISA-N 0 3 177.247 2.672 10 30 AFEEHN C=CCN[C@H](CC=C)c1ccco1 238074713 572922481 /nfs/dbraw/zinc/92/24/81/572922481.db2.gz PFHBRUBAPSKJOR-SNVBAGLBSA-N 0 3 177.247 2.672 10 30 AFEEHN C=C(Cl)CN[C@H]1CC[C@@H](C2CC2)C1 308194634 572923232 /nfs/dbraw/zinc/92/32/32/572923232.db2.gz RDFDGGQAOJBPQO-MNOVXSKESA-N 0 3 199.725 2.907 10 30 AFEEHN C=C(Cl)CN[C@@H]1CC[C@@H](C2CC2)C1 308194633 572923412 /nfs/dbraw/zinc/92/34/12/572923412.db2.gz RDFDGGQAOJBPQO-GHMZBOCLSA-N 0 3 199.725 2.907 10 30 AFEEHN C=C(Cl)CN[C@H]1CC[C@H](C2CC2)C1 308194635 572923426 /nfs/dbraw/zinc/92/34/26/572923426.db2.gz RDFDGGQAOJBPQO-QWRGUYRKSA-N 0 3 199.725 2.907 10 30 AFEEHN C#CCN[C@H](CC=C)c1cccs1 238085625 572927431 /nfs/dbraw/zinc/92/74/31/572927431.db2.gz XBEKWODWKFGHJG-SNVBAGLBSA-N 0 3 191.299 2.588 10 30 AFEEHN C#CCN[C@@H](CC=C)c1cccs1 238093600 572928670 /nfs/dbraw/zinc/92/86/70/572928670.db2.gz XBEKWODWKFGHJG-JTQLQIEISA-N 0 3 191.299 2.588 10 30 AFEEHN C=C[C@H]1CC[C@@H](c2ccccc2C#N)N1 238126482 572934816 /nfs/dbraw/zinc/93/48/16/572934816.db2.gz SBRALUXKWJGFMF-AAEUAGOBSA-N 0 3 198.269 2.537 10 30 AFEEHN C[C@@H](C#N)CNC(C)(C)CC(C)(C)C 50878094 572937379 /nfs/dbraw/zinc/93/73/79/572937379.db2.gz RXEPFHMPBNDUKJ-JTQLQIEISA-N 0 3 196.338 2.950 10 30 AFEEHN C=C[C@H]1CC[C@H](c2ccccc2C#N)N1 238126980 572938282 /nfs/dbraw/zinc/93/82/82/572938282.db2.gz SBRALUXKWJGFMF-WCQYABFASA-N 0 3 198.269 2.537 10 30 AFEEHN C=C[C@@H]1CC[C@H](c2ccccc2C#N)N1 238114113 572938307 /nfs/dbraw/zinc/93/83/07/572938307.db2.gz SBRALUXKWJGFMF-DGCLKSJQSA-N 0 3 198.269 2.537 10 30 AFEEHN CC[C@@H](C)CN(CC)[C@@H](C)CC#N 86437647 572938747 /nfs/dbraw/zinc/93/87/47/572938747.db2.gz QBNMBCWDIXCDQN-MNOVXSKESA-N 0 3 182.311 2.657 10 30 AFEEHN CC[C@H](C)CN(CC)[C@@H](C)CC#N 86437649 572939799 /nfs/dbraw/zinc/93/97/99/572939799.db2.gz QBNMBCWDIXCDQN-QWRGUYRKSA-N 0 3 182.311 2.657 10 30 AFEEHN C[C@@H](CCC(C)(C)C)NCCC#N 308197541 572939942 /nfs/dbraw/zinc/93/99/42/572939942.db2.gz SDZVXKLNVYZAJI-JTQLQIEISA-N 0 3 182.311 2.704 10 30 AFEEHN C[C@H](CCC(C)(C)C)NCCC#N 308197542 572940408 /nfs/dbraw/zinc/94/04/08/572940408.db2.gz SDZVXKLNVYZAJI-SNVBAGLBSA-N 0 3 182.311 2.704 10 30 AFEEHN C=NCCNc1ccc2ccccc2c1 238140085 572941183 /nfs/dbraw/zinc/94/11/83/572941183.db2.gz CZZUWCGURRISBI-UHFFFAOYSA-N 0 3 198.269 2.952 10 30 AFEEHN C#Cc1cccc(NC2=NCCCC2)c1 86454357 572941633 /nfs/dbraw/zinc/94/16/33/572941633.db2.gz OGONBIXPVJTEOL-UHFFFAOYSA-N 0 3 198.269 2.662 10 30 AFEEHN C=CC[C@@H](NC)c1c(F)cccc1F 86477559 572943998 /nfs/dbraw/zinc/94/39/98/572943998.db2.gz ZTEZTJVUWSAGEP-SNVBAGLBSA-N 0 3 197.228 2.801 10 30 AFEEHN C=CC[C@H](NC)c1c(F)cccc1F 86477557 572944254 /nfs/dbraw/zinc/94/42/54/572944254.db2.gz ZTEZTJVUWSAGEP-JTQLQIEISA-N 0 3 197.228 2.801 10 30 AFEEHN CCCC[C@@H](C)N(C)C[C@@H](C)C#N 308215234 572948487 /nfs/dbraw/zinc/94/84/87/572948487.db2.gz ZHIHSSRDCLOGNC-WDEREUQCSA-N 0 3 182.311 2.657 10 30 AFEEHN CCCC[C@H](C)N(C)C[C@H](C)C#N 308215232 572949173 /nfs/dbraw/zinc/94/91/73/572949173.db2.gz ZHIHSSRDCLOGNC-MNOVXSKESA-N 0 3 182.311 2.657 10 30 AFEEHN CCCC[C@@H](C)N(C)C[C@H](C)C#N 308215231 572949716 /nfs/dbraw/zinc/94/97/16/572949716.db2.gz ZHIHSSRDCLOGNC-GHMZBOCLSA-N 0 3 182.311 2.657 10 30 AFEEHN C=CC[C@H](NC(C)C)c1ccco1 238145345 572954243 /nfs/dbraw/zinc/95/42/43/572954243.db2.gz MCENUXZTRMAUHE-JTQLQIEISA-N 0 3 179.263 2.895 10 30 AFEEHN C[C@@H](CC#N)N1CC[C@H](C(C)(C)C)C1 108304217 572957481 /nfs/dbraw/zinc/95/74/81/572957481.db2.gz SCEKYKSLNNQQKJ-QWRGUYRKSA-N 0 3 194.322 2.657 10 30 AFEEHN C[C@H](CC#N)N1CC[C@H](C(C)(C)C)C1 108304220 572957505 /nfs/dbraw/zinc/95/75/05/572957505.db2.gz SCEKYKSLNNQQKJ-MNOVXSKESA-N 0 3 194.322 2.657 10 30 AFEEHN C=CC[C@@H](NC(C)C)c1ccco1 238154843 572957939 /nfs/dbraw/zinc/95/79/39/572957939.db2.gz MCENUXZTRMAUHE-SNVBAGLBSA-N 0 3 179.263 2.895 10 30 AFEEHN C#C[C@H](N)c1ccc(F)c2ccccc12 236290504 572961062 /nfs/dbraw/zinc/96/10/62/572961062.db2.gz HRLCGJCDIKLTLD-ZDUSSCGKSA-N 0 3 199.228 2.612 10 30 AFEEHN C=C[C@](C)(CC(C)C)[C@H]1NCCS1 238166541 572959355 /nfs/dbraw/zinc/95/93/55/572959355.db2.gz SGSNZIJVLKCODT-WDEREUQCSA-N 0 3 199.363 2.887 10 30 AFEEHN C=C[C@](C)(CC(C)C)[C@@H]1NCCS1 238166517 572960230 /nfs/dbraw/zinc/96/02/30/572960230.db2.gz SGSNZIJVLKCODT-GHMZBOCLSA-N 0 3 199.363 2.887 10 30 AFEEHN C=C(C)CN(CC)CCCCl 58841090 572960317 /nfs/dbraw/zinc/96/03/17/572960317.db2.gz OJKIUQRKMOVPFU-UHFFFAOYSA-N 0 3 175.703 2.513 10 30 AFEEHN C=C[C@@H](N)c1nc2ccccc2cc1C 713797914 572962529 /nfs/dbraw/zinc/96/25/29/572962529.db2.gz WIVNMPCPIHACNS-LLVKDONJSA-N 0 3 198.269 2.729 10 30 AFEEHN C=C[C@H](N)c1nc2ccccc2cc1C 713797918 572963106 /nfs/dbraw/zinc/96/31/06/572963106.db2.gz WIVNMPCPIHACNS-NSHDSACASA-N 0 3 198.269 2.729 10 30 AFEEHN C=C[C@@H](NCC)c1ccc(F)cc1C 88124541 572967847 /nfs/dbraw/zinc/96/78/47/572967847.db2.gz YQKQOUGUZMZGKJ-GFCCVEGCSA-N 0 3 193.265 2.971 10 30 AFEEHN C[C@@H]1CC[C@@H](C)N(CC(C)(C)C#N)C1 405188382 572971013 /nfs/dbraw/zinc/97/10/13/572971013.db2.gz NMGIGTTVYBQVPE-GHMZBOCLSA-N 0 3 194.322 2.657 10 30 AFEEHN C[C@H]1CC[C@@H](C)N(CC(C)(C)C#N)C1 405188388 572971792 /nfs/dbraw/zinc/97/17/92/572971792.db2.gz NMGIGTTVYBQVPE-WDEREUQCSA-N 0 3 194.322 2.657 10 30 AFEEHN C#C[C@@H](N)c1ccc(F)c2ccccc12 236301631 572973566 /nfs/dbraw/zinc/97/35/66/572973566.db2.gz HRLCGJCDIKLTLD-CYBMUJFWSA-N 0 3 199.228 2.612 10 30 AFEEHN C=CCCCCC[C@H](N)c1ncc[nH]1 236303800 572976486 /nfs/dbraw/zinc/97/64/86/572976486.db2.gz CBUKTBPZFZHJMO-JTQLQIEISA-N 0 3 193.294 2.546 10 30 AFEEHN C=CCCCCCC(=O)[C@@H](N)CC=C 236304186 572977148 /nfs/dbraw/zinc/97/71/48/572977148.db2.gz YIRMMISYGPAPTE-NSHDSACASA-N 0 3 195.306 2.595 10 30 AFEEHN C=CCC[C@@H](N)c1ccoc1Cl 236312229 572985201 /nfs/dbraw/zinc/98/52/01/572985201.db2.gz QFCFPSSAMKPQQK-MRVPVSSYSA-N 0 3 185.654 2.899 10 30 AFEEHN C#CCCC[C@@H](N)c1ccoc1Cl 236312786 572986529 /nfs/dbraw/zinc/98/65/29/572986529.db2.gz GQWMZKMYNFKQTC-SECBINFHSA-N 0 3 197.665 2.736 10 30 AFEEHN C=CCC[C@@H](N)c1ncccc1Cl 236312269 572986621 /nfs/dbraw/zinc/98/66/21/572986621.db2.gz JRZVEQWIRFZONO-SECBINFHSA-N 0 3 196.681 2.701 10 30 AFEEHN CCN(C[C@H](C)C#N)CC(C)(C)C 308216363 572993366 /nfs/dbraw/zinc/99/33/66/572993366.db2.gz ZVGZEKMQXFYUMZ-SNVBAGLBSA-N 0 3 182.311 2.514 10 30 AFEEHN C[C@H](CCC#N)NCc1cccs1 308219331 572995986 /nfs/dbraw/zinc/99/59/86/572995986.db2.gz BKIVCYSRFUDHRW-SECBINFHSA-N 0 3 194.303 2.530 10 30 AFEEHN CCCCN1CCCC[C@H]1CC#N 259302216 572996588 /nfs/dbraw/zinc/99/65/88/572996588.db2.gz PRYVWUYHGGRWMS-NSHDSACASA-N 0 3 180.295 2.555 10 30 AFEEHN C=C(C)CN[C@H](C)c1occc1C 308219495 572996621 /nfs/dbraw/zinc/99/66/21/572996621.db2.gz BNDPXCMRHXLDTL-SNVBAGLBSA-N 0 3 179.263 2.815 10 30 AFEEHN C=CCN(CCC)Cc1ccco1 308476481 572997737 /nfs/dbraw/zinc/99/77/37/572997737.db2.gz MAHQDNRPHVHAFO-UHFFFAOYSA-N 0 3 179.263 2.678 10 30 AFEEHN CC(=N)Nc1c(C)cccc1Cl 85390643 573000968 /nfs/dbraw/zinc/00/09/68/573000968.db2.gz DHSCSJZSVSYXSI-UHFFFAOYSA-N 0 3 182.654 2.657 10 30 AFEEHN C=CC[C@H](CC)Nc1ccncc1 308231842 573002522 /nfs/dbraw/zinc/00/25/22/573002522.db2.gz PCDDVHLFWWOFFW-JTQLQIEISA-N 0 3 176.263 2.848 10 30 AFEEHN C=CC[C@@H](CC)Nc1ccncc1 308231843 573005801 /nfs/dbraw/zinc/00/58/01/573005801.db2.gz PCDDVHLFWWOFFW-SNVBAGLBSA-N 0 3 176.263 2.848 10 30 AFEEHN Cc1ccccc1[C@H](CS)N(C)C 259598447 573007433 /nfs/dbraw/zinc/00/74/33/573007433.db2.gz QLKFYZHOXOTQQM-NSHDSACASA-N 0 3 195.331 2.528 10 30 AFEEHN Cc1ccccc1[C@@H](CS)N(C)C 259598441 573011030 /nfs/dbraw/zinc/01/10/30/573011030.db2.gz QLKFYZHOXOTQQM-LLVKDONJSA-N 0 3 195.331 2.528 10 30 AFEEHN CCC(CC)C[C@@]1(C#N)CCCNC1 308474891 573011047 /nfs/dbraw/zinc/01/10/47/573011047.db2.gz KSKADCQKARPYPT-GFCCVEGCSA-N 0 3 194.322 2.706 10 30 AFEEHN CCC(CC)C[C@]1(C#N)CCCNC1 308474892 573011862 /nfs/dbraw/zinc/01/18/62/573011862.db2.gz KSKADCQKARPYPT-LBPRGKRZSA-N 0 3 194.322 2.706 10 30 AFEEHN C=C[C@@H](N)c1cccc(SC)c1 104576232 573021692 /nfs/dbraw/zinc/02/16/92/573021692.db2.gz WTONTTHUHPPBCN-SNVBAGLBSA-N 0 3 179.288 2.594 10 30 AFEEHN C=C[C@@H](N)c1cc(Cl)ccc1C 104574202 573026971 /nfs/dbraw/zinc/02/69/71/573026971.db2.gz YJNJOICXNCOVQS-SNVBAGLBSA-N 0 3 181.666 2.834 10 30 AFEEHN C=C(C(F)(F)F)[C@@](F)(CN)CCC 308181056 573027791 /nfs/dbraw/zinc/02/77/91/573027791.db2.gz CMQBVGIUJVECSU-ZETCQYMHSA-N 0 3 199.191 2.572 10 30 AFEEHN C=C[C@H](N)c1ccc(C)cc1Cl 104581759 573036448 /nfs/dbraw/zinc/03/64/48/573036448.db2.gz BKYSYGNWNNGOJU-JTQLQIEISA-N 0 3 181.666 2.834 10 30 AFEEHN CCC(C#N)C(=O)C1CCC(C)CC1 123501159 573037813 /nfs/dbraw/zinc/03/78/13/573037813.db2.gz FRULNGUKFNEAHW-HSOILSAZSA-N 0 3 193.290 2.932 10 30 AFEEHN C[C@H]1CCCC[C@H]1N(C)C[C@@H](C)C#N 42607495 573038504 /nfs/dbraw/zinc/03/85/04/573038504.db2.gz DJKKMXAJIZMUAK-SDDRHHMPSA-N 0 3 194.322 2.657 10 30 AFEEHN C#CCN[C@@H](CC)c1cccc(C)c1 393656401 573039816 /nfs/dbraw/zinc/03/98/16/573039816.db2.gz KEEGEJOWAQGPBD-ZDUSSCGKSA-N 0 3 187.286 2.669 10 30 AFEEHN CCC(C#N)C(=O)C1CCC(C)CC1 123500895 573039981 /nfs/dbraw/zinc/03/99/81/573039981.db2.gz FRULNGUKFNEAHW-YVNMAJEFSA-N 0 3 193.290 2.932 10 30 AFEEHN C[C@H]1CCCC[C@H]1N(C)[C@@H](C)CC#N 42607541 573041432 /nfs/dbraw/zinc/04/14/32/573041432.db2.gz GTTZWMYLKGTNGV-SDDRHHMPSA-N 0 3 194.322 2.799 10 30 AFEEHN C=CCN(CC)CCc1ccsc1 308247854 573044406 /nfs/dbraw/zinc/04/44/06/573044406.db2.gz YHHJMONDDQSEBW-UHFFFAOYSA-N 0 3 195.331 2.799 10 30 AFEEHN CC#C[C@](C)(NCC)c1ccccc1 238257758 573046335 /nfs/dbraw/zinc/04/63/35/573046335.db2.gz CHGSQXIPYSHQQB-ZDUSSCGKSA-N 0 3 187.286 2.535 10 30 AFEEHN CC[C@H](C#N)[C@H](C1CCCC1)N(C)C 259319791 573051226 /nfs/dbraw/zinc/05/12/26/573051226.db2.gz XRWRRXAZPLBOII-ZYHUDNBSSA-N 0 3 194.322 2.657 10 30 AFEEHN CC[C@@H](C#N)[C@@H](C1CCCC1)N(C)C 259319778 573053840 /nfs/dbraw/zinc/05/38/40/573053840.db2.gz XRWRRXAZPLBOII-JQWIXIFHSA-N 0 3 194.322 2.657 10 30 AFEEHN C#CCN[C@H](CC)c1cccc(C)c1 393656398 573055519 /nfs/dbraw/zinc/05/55/19/573055519.db2.gz KEEGEJOWAQGPBD-CYBMUJFWSA-N 0 3 187.286 2.669 10 30 AFEEHN C[C@H](C#N)CNC(C)(C)CC(C)(C)C 50878092 573056132 /nfs/dbraw/zinc/05/61/32/573056132.db2.gz RXEPFHMPBNDUKJ-SNVBAGLBSA-N 0 3 196.338 2.950 10 30 AFEEHN C=CCN(CC)C[C@H](C)C(F)(F)F 308240093 573056828 /nfs/dbraw/zinc/05/68/28/573056828.db2.gz SJCJQYUWCDJGDW-QMMMGPOBSA-N 0 3 195.228 2.693 10 30 AFEEHN CC#C[C@@](C)(NCC)c1ccccc1 238274743 573060883 /nfs/dbraw/zinc/06/08/83/573060883.db2.gz CHGSQXIPYSHQQB-CYBMUJFWSA-N 0 3 187.286 2.535 10 30 AFEEHN CC[C@H](CN[C@H](C)[C@@H](C)C#N)C(C)C 308494113 573065093 /nfs/dbraw/zinc/06/50/93/573065093.db2.gz CPRBXWUEPHJJGR-QJPTWQEYSA-N 0 3 196.338 2.806 10 30 AFEEHN CC[C@H](CN[C@@H](C)[C@H](C)C#N)C(C)C 308494106 573065920 /nfs/dbraw/zinc/06/59/20/573065920.db2.gz CPRBXWUEPHJJGR-GRYCIOLGSA-N 0 3 196.338 2.806 10 30 AFEEHN CC[C@H](CN[C@@H](C)[C@@H](C)C#N)C(C)C 308494115 573066687 /nfs/dbraw/zinc/06/66/87/573066687.db2.gz CPRBXWUEPHJJGR-SDDRHHMPSA-N 0 3 196.338 2.806 10 30 AFEEHN CC[C@@H](CN[C@H](C)CC#N)C(C)C 308246954 573066714 /nfs/dbraw/zinc/06/67/14/573066714.db2.gz WUJFGROAWCVRAW-MNOVXSKESA-N 0 3 182.311 2.560 10 30 AFEEHN CC[C@H](CN[C@H](C)[C@H](C)C#N)C(C)C 308494109 573066733 /nfs/dbraw/zinc/06/67/33/573066733.db2.gz CPRBXWUEPHJJGR-IJLUTSLNSA-N 0 3 196.338 2.806 10 30 AFEEHN CC[C@@H](CC#N)N1CCC[C@H](C)CC1 82489336 573067979 /nfs/dbraw/zinc/06/79/79/573067979.db2.gz YJELDAXJMOEHOR-RYUDHWBXSA-N 0 3 194.322 2.801 10 30 AFEEHN CC[C@H](CN[C@H](C)CC#N)C(C)C 308246953 573068114 /nfs/dbraw/zinc/06/81/14/573068114.db2.gz WUJFGROAWCVRAW-GHMZBOCLSA-N 0 3 182.311 2.560 10 30 AFEEHN CC[C@@H](CN[C@@H](C)CC#N)C(C)C 308246955 573070091 /nfs/dbraw/zinc/07/00/91/573070091.db2.gz WUJFGROAWCVRAW-QWRGUYRKSA-N 0 3 182.311 2.560 10 30 AFEEHN CC[C@H](CC#N)N1CCC[C@H](C)CC1 82489337 573071469 /nfs/dbraw/zinc/07/14/69/573071469.db2.gz YJELDAXJMOEHOR-NWDGAFQWSA-N 0 3 194.322 2.801 10 30 AFEEHN CC[C@@H](C)[C@H](N)c1ccccc1C#N 306853616 573075979 /nfs/dbraw/zinc/07/59/79/573075979.db2.gz UIWSSJFDHGAVQM-SKDRFNHKSA-N 0 3 188.274 2.604 10 30 AFEEHN CC[C@H](C)[C@@H](N)c1ccccc1C#N 306853615 573076959 /nfs/dbraw/zinc/07/69/59/573076959.db2.gz UIWSSJFDHGAVQM-JOYOIKCWSA-N 0 3 188.274 2.604 10 30 AFEEHN CC[C@H](C)N[C@@H](CC#N)CC(C)C 308496453 573077752 /nfs/dbraw/zinc/07/77/52/573077752.db2.gz UEFJFCZRDYNDOL-QWRGUYRKSA-N 0 3 182.311 2.703 10 30 AFEEHN CC[C@H](C)N[C@H](CC#N)CC(C)C 308496454 573078829 /nfs/dbraw/zinc/07/88/29/573078829.db2.gz UEFJFCZRDYNDOL-WDEREUQCSA-N 0 3 182.311 2.703 10 30 AFEEHN CC[C@@H](C)N[C@@H](CC#N)CC(C)C 308496452 573078932 /nfs/dbraw/zinc/07/89/32/573078932.db2.gz UEFJFCZRDYNDOL-MNOVXSKESA-N 0 3 182.311 2.703 10 30 AFEEHN CC[C@@H](C)N[C@H](CC#N)CC(C)C 308496451 573079255 /nfs/dbraw/zinc/07/92/55/573079255.db2.gz UEFJFCZRDYNDOL-GHMZBOCLSA-N 0 3 182.311 2.703 10 30 AFEEHN CC(C)CN1C[C@@H](C#N)CCC1(C)C 259323804 573082956 /nfs/dbraw/zinc/08/29/56/573082956.db2.gz IMPKXUSHMRYKEA-LLVKDONJSA-N 0 3 194.322 2.657 10 30 AFEEHN CC(C)CN1C[C@H](C#N)CCC1(C)C 259323805 573082998 /nfs/dbraw/zinc/08/29/98/573082998.db2.gz IMPKXUSHMRYKEA-NSHDSACASA-N 0 3 194.322 2.657 10 30 AFEEHN CC/C(=N\C)c1c[nH]c2ccccc12 308259023 573089269 /nfs/dbraw/zinc/08/92/69/573089269.db2.gz DKVREKJXEISKJW-ACCUITESSA-N 0 3 186.258 2.997 10 30 AFEEHN CCN([C@@H](C)C(C)C)[C@H](C)CC#N 308500699 573090026 /nfs/dbraw/zinc/09/00/26/573090026.db2.gz WOAATBJBBTYHIA-MNOVXSKESA-N 0 3 182.311 2.655 10 30 AFEEHN C(=N\C1CC1)\c1c[nH]c2ccccc12 308260506 573090552 /nfs/dbraw/zinc/09/05/52/573090552.db2.gz JFXYPAPLBGIMAR-QPEQYQDCSA-N 0 3 184.242 2.749 10 30 AFEEHN C=C=C(CC=C)[C@@H](N)c1ccccc1 308259503 573090382 /nfs/dbraw/zinc/09/03/82/573090382.db2.gz GBIMLBZBMAKZLL-CYBMUJFWSA-N 0 3 185.270 2.974 10 30 AFEEHN C=C=C(CC=C)[C@H](N)c1ccccc1 308259504 573092491 /nfs/dbraw/zinc/09/24/91/573092491.db2.gz GBIMLBZBMAKZLL-ZDUSSCGKSA-N 0 3 185.270 2.974 10 30 AFEEHN CCN([C@@H](C)CC#N)[C@H](C)C(C)C 308500701 573093092 /nfs/dbraw/zinc/09/30/92/573093092.db2.gz WOAATBJBBTYHIA-WDEREUQCSA-N 0 3 182.311 2.655 10 30 AFEEHN CC(C)CC(C#N)C(=O)CC1CC1 49804715 573094981 /nfs/dbraw/zinc/09/49/81/573094981.db2.gz ZPOHBTQJLCQVNA-JTQLQIEISA-N 0 3 179.263 2.541 10 30 AFEEHN C#C/C=C\NC[C@H]1CC2CCC1CC2 308256033 573096514 /nfs/dbraw/zinc/09/65/14/573096514.db2.gz KAQRMZXMUVPAGI-LBDLTXDNSA-N 0 3 189.302 2.549 10 30 AFEEHN C=C[C@H](C)CN(C)Cc1ccoc1 308255178 573097338 /nfs/dbraw/zinc/09/73/38/573097338.db2.gz KEMGHYBXFFPIHO-JTQLQIEISA-N 0 3 179.263 2.534 10 30 AFEEHN CC(C)CC(C#N)C(=O)CC1CC1 49804718 573097535 /nfs/dbraw/zinc/09/75/35/573097535.db2.gz ZPOHBTQJLCQVNA-SNVBAGLBSA-N 0 3 179.263 2.541 10 30 AFEEHN CC(C)/N=C\c1c[nH]c2ccccc12 308256092 573099815 /nfs/dbraw/zinc/09/98/15/573099815.db2.gz LDPUCGXGMAIRQU-QPEQYQDCSA-N 0 3 186.258 2.995 10 30 AFEEHN CC#CC[C@H](N)c1coc2ccccc12 128687843 573104146 /nfs/dbraw/zinc/10/41/46/573104146.db2.gz OIQBMXDCXYOBPJ-LBPRGKRZSA-N 0 3 199.253 2.846 10 30 AFEEHN CC#CC[C@@H](N)c1coc2ccccc12 128688052 573105470 /nfs/dbraw/zinc/10/54/70/573105470.db2.gz OIQBMXDCXYOBPJ-GFCCVEGCSA-N 0 3 199.253 2.846 10 30 AFEEHN C#CC[C@H](NC)c1coc2ccccc12 128695688 573106446 /nfs/dbraw/zinc/10/64/46/573106446.db2.gz PEOIAVPKMACJLO-LBPRGKRZSA-N 0 3 199.253 2.717 10 30 AFEEHN C=C(C)CN[C@@H](C)c1occc1C 308219493 573111020 /nfs/dbraw/zinc/11/10/20/573111020.db2.gz BNDPXCMRHXLDTL-JTQLQIEISA-N 0 3 179.263 2.815 10 30 AFEEHN C#C[C@@H](NCC)c1coc2ccccc12 128704646 573112194 /nfs/dbraw/zinc/11/21/94/573112194.db2.gz FQESVOBRVWBDPX-GFCCVEGCSA-N 0 3 199.253 2.717 10 30 AFEEHN CC[C@H](C)[C@H](N)c1ccccc1C#N 306853614 573119466 /nfs/dbraw/zinc/11/94/66/573119466.db2.gz UIWSSJFDHGAVQM-CABZTGNLSA-N 0 3 188.274 2.604 10 30 AFEEHN C=CCCN(C)Cc1cc(Cl)c[nH]1 308274356 573122505 /nfs/dbraw/zinc/12/25/05/573122505.db2.gz USYWGCGDEYZQEN-UHFFFAOYSA-N 0 3 198.697 2.676 10 30 AFEEHN CCC(C#N)C(=O)C1C(C)(C)C1(C)C 85709867 573123334 /nfs/dbraw/zinc/12/33/34/573123334.db2.gz RQPKQRSLTGRETK-MRVPVSSYSA-N 0 3 193.290 2.787 10 30 AFEEHN CC[C@@H](C)N1CCCC[C@H]1CC#N 259332044 573123339 /nfs/dbraw/zinc/12/33/39/573123339.db2.gz RNRZBSDODSIRIG-MNOVXSKESA-N 0 3 180.295 2.553 10 30 AFEEHN CCC(C#N)C(=O)C1C(C)(C)C1(C)C 85709864 573123444 /nfs/dbraw/zinc/12/34/44/573123444.db2.gz RQPKQRSLTGRETK-QMMMGPOBSA-N 0 3 193.290 2.787 10 30 AFEEHN CC[C@H](C)N1CCCC[C@H]1CC#N 259332048 573123866 /nfs/dbraw/zinc/12/38/66/573123866.db2.gz RNRZBSDODSIRIG-QWRGUYRKSA-N 0 3 180.295 2.553 10 30 AFEEHN CCC(=NC)Nc1ccc(Cl)cc1 238280532 573124061 /nfs/dbraw/zinc/12/40/61/573124061.db2.gz ZEXROHZRZLLSAG-UHFFFAOYSA-N 0 3 196.681 2.999 10 30 AFEEHN CC[C@H](C)N1CCCC[C@@H]1CC#N 259332051 573126036 /nfs/dbraw/zinc/12/60/36/573126036.db2.gz RNRZBSDODSIRIG-WDEREUQCSA-N 0 3 180.295 2.553 10 30 AFEEHN CC[C@@H](C)N1CCCC[C@@H]1CC#N 259332043 573126173 /nfs/dbraw/zinc/12/61/73/573126173.db2.gz RNRZBSDODSIRIG-GHMZBOCLSA-N 0 3 180.295 2.553 10 30 AFEEHN C=CCCC[C@H](N)c1ccc(C)o1 128798703 573133154 /nfs/dbraw/zinc/13/31/54/573133154.db2.gz YGLSAJKLBKTFIM-JTQLQIEISA-N 0 3 179.263 2.944 10 30 AFEEHN C=CCCC[C@@H](N)c1ccc(C)o1 128798490 573136425 /nfs/dbraw/zinc/13/64/25/573136425.db2.gz YGLSAJKLBKTFIM-SNVBAGLBSA-N 0 3 179.263 2.944 10 30 AFEEHN C#C/C=C\NC[C@@H]1CC2CCC1CC2 308256034 573138993 /nfs/dbraw/zinc/13/89/93/573138993.db2.gz KAQRMZXMUVPAGI-YWRRMFROSA-N 0 3 189.302 2.549 10 30 AFEEHN C=CCC[C@H](NC)c1ccc(C)o1 128927747 573139794 /nfs/dbraw/zinc/13/97/94/573139794.db2.gz ZVDOQRNBKCMHQC-JTQLQIEISA-N 0 3 179.263 2.815 10 30 AFEEHN C=CCC[C@@H](NC)c1ccc(C)o1 128927537 573140324 /nfs/dbraw/zinc/14/03/24/573140324.db2.gz ZVDOQRNBKCMHQC-SNVBAGLBSA-N 0 3 179.263 2.815 10 30 AFEEHN C=C[C@@H](N)c1cc(C)c(C)s1 104663578 573141639 /nfs/dbraw/zinc/14/16/39/573141639.db2.gz DRQKQPDJYUOKMH-MRVPVSSYSA-N 0 3 167.277 2.551 10 30 AFEEHN C=CCC[C@H](NC)c1coc(C)c1 128952767 573141820 /nfs/dbraw/zinc/14/18/20/573141820.db2.gz JGTALRWPOYISTJ-NSHDSACASA-N 0 3 179.263 2.815 10 30 AFEEHN C=CCC[C@@H](NC)c1coc(C)c1 128952510 573142895 /nfs/dbraw/zinc/14/28/95/573142895.db2.gz JGTALRWPOYISTJ-LLVKDONJSA-N 0 3 179.263 2.815 10 30 AFEEHN CC[C@@H]1CCCC[C@H]1N(C)CCC#N 82657756 573143432 /nfs/dbraw/zinc/14/34/32/573143432.db2.gz SPAOWGOXNYFCSD-VXGBXAGGSA-N 0 3 194.322 2.801 10 30 AFEEHN CCC(C#N)C(=O)C(C1CC1)C1CC1 308506353 573154498 /nfs/dbraw/zinc/15/44/98/573154498.db2.gz ZBEHJVYTRXLHCB-QMMMGPOBSA-N 0 3 191.274 2.541 10 30 AFEEHN C=C[C@@H](C)CN(C)Cc1ccoc1 308255179 573154630 /nfs/dbraw/zinc/15/46/30/573154630.db2.gz KEMGHYBXFFPIHO-SNVBAGLBSA-N 0 3 179.263 2.534 10 30 AFEEHN CCC(C#N)C(=O)C(C1CC1)C1CC1 308506351 573155813 /nfs/dbraw/zinc/15/58/13/573155813.db2.gz ZBEHJVYTRXLHCB-MRVPVSSYSA-N 0 3 191.274 2.541 10 30 AFEEHN C=C[C@@H](C)CN(C)CCC(F)(F)F 308283473 573156405 /nfs/dbraw/zinc/15/64/05/573156405.db2.gz XVLPTSOLVKURGK-MRVPVSSYSA-N 0 3 195.228 2.693 10 30 AFEEHN C=C[C@H](C)CN(C)CCC(F)(F)F 308283474 573156459 /nfs/dbraw/zinc/15/64/59/573156459.db2.gz XVLPTSOLVKURGK-QMMMGPOBSA-N 0 3 195.228 2.693 10 30 AFEEHN CCN(CCC#N)[C@@H]1CCC[C@@H](C)C1 223982934 573158467 /nfs/dbraw/zinc/15/84/67/573158467.db2.gz WZLRGLLZTQNLAB-VXGBXAGGSA-N 0 3 194.322 2.801 10 30 AFEEHN CCc1ccc([C@@H](N)CCC#N)s1 259349988 573160543 /nfs/dbraw/zinc/16/05/43/573160543.db2.gz HVBICQIIEQRDKX-VIFPVBQESA-N 0 3 194.303 2.614 10 30 AFEEHN CCCCCNC[C@H](C#N)C(C)C 258559997 573161841 /nfs/dbraw/zinc/16/18/41/573161841.db2.gz BROVJMRJYKBAKC-NSHDSACASA-N 0 3 182.311 2.562 10 30 AFEEHN CCc1ccc([C@H](N)CCC#N)s1 259349987 573163373 /nfs/dbraw/zinc/16/33/73/573163373.db2.gz HVBICQIIEQRDKX-SECBINFHSA-N 0 3 194.303 2.614 10 30 AFEEHN C[C@H](CC#N)NCC(C)(C)C(C)(C)C 308511397 573165316 /nfs/dbraw/zinc/16/53/16/573165316.db2.gz JVXVRXSUZQBOKV-SNVBAGLBSA-N 0 3 196.338 2.950 10 30 AFEEHN CC(C)[C@H](C#N)[C@H](C1CCC1)N(C)C 259351927 573167010 /nfs/dbraw/zinc/16/70/10/573167010.db2.gz ZWZTVCYTMODQPM-RYUDHWBXSA-N 0 3 194.322 2.512 10 30 AFEEHN C[C@@H](CC#N)NCC(C)(C)C(C)(C)C 308511396 573167202 /nfs/dbraw/zinc/16/72/02/573167202.db2.gz JVXVRXSUZQBOKV-JTQLQIEISA-N 0 3 196.338 2.950 10 30 AFEEHN CC(C)[C@@H](C#N)[C@H](C1CCC1)N(C)C 259351921 573167323 /nfs/dbraw/zinc/16/73/23/573167323.db2.gz ZWZTVCYTMODQPM-NEPJUHHUSA-N 0 3 194.322 2.512 10 30 AFEEHN CC(C)[C@H](C#N)[C@@H](C1CCC1)N(C)C 259351924 573168733 /nfs/dbraw/zinc/16/87/33/573168733.db2.gz ZWZTVCYTMODQPM-NWDGAFQWSA-N 0 3 194.322 2.512 10 30 AFEEHN CC(C)[C@@H](C#N)[C@@H](C1CCC1)N(C)C 259351929 573171055 /nfs/dbraw/zinc/17/10/55/573171055.db2.gz ZWZTVCYTMODQPM-VXGBXAGGSA-N 0 3 194.322 2.512 10 30 AFEEHN C=CCC[C@@H](N)c1sccc1OC 129004114 573176711 /nfs/dbraw/zinc/17/67/11/573176711.db2.gz CCACEZADQCDOQG-MRVPVSSYSA-N 0 3 197.303 2.723 10 30 AFEEHN C=C[C@@H]1CCCCN1C[C@H](F)CC 308293404 573178849 /nfs/dbraw/zinc/17/88/49/573178849.db2.gz IPEVOECTEALWIM-GHMZBOCLSA-N 0 3 185.286 2.775 10 30 AFEEHN C=C[C@H]1CCCCN1C[C@@H](F)CC 308293408 573179916 /nfs/dbraw/zinc/17/99/16/573179916.db2.gz IPEVOECTEALWIM-QWRGUYRKSA-N 0 3 185.286 2.775 10 30 AFEEHN C=C[C@H]1CCCCN1C[C@H](F)CC 308293406 573180041 /nfs/dbraw/zinc/18/00/41/573180041.db2.gz IPEVOECTEALWIM-MNOVXSKESA-N 0 3 185.286 2.775 10 30 AFEEHN C=CC[C@@H](C)N[C@H](CC#N)CC(C)C 308513740 573187934 /nfs/dbraw/zinc/18/79/34/573187934.db2.gz LWEKZELFYVRLKY-VXGBXAGGSA-N 0 3 194.322 2.869 10 30 AFEEHN C=CC[C@H](C)N[C@H](CC#N)CC(C)C 308513738 573188271 /nfs/dbraw/zinc/18/82/71/573188271.db2.gz LWEKZELFYVRLKY-NWDGAFQWSA-N 0 3 194.322 2.869 10 30 AFEEHN C=CC[C@H](C)N[C@@H](CC#N)CC(C)C 308513739 573188863 /nfs/dbraw/zinc/18/88/63/573188863.db2.gz LWEKZELFYVRLKY-RYUDHWBXSA-N 0 3 194.322 2.869 10 30 AFEEHN C=C[C@](C)(NC)c1cccc(Cl)c1 238310092 573198134 /nfs/dbraw/zinc/19/81/34/573198134.db2.gz PLUSYBHNDRSCGT-NSHDSACASA-N 0 3 195.693 2.961 10 30 AFEEHN C=C[C@@](C)(NC)c1cccc(Cl)c1 238311779 573201564 /nfs/dbraw/zinc/20/15/64/573201564.db2.gz PLUSYBHNDRSCGT-LLVKDONJSA-N 0 3 195.693 2.961 10 30 AFEEHN C#CC(C)(C)NCc1ccc(C)s1 69679083 573202275 /nfs/dbraw/zinc/20/22/75/573202275.db2.gz KDVONGIGFSONRV-UHFFFAOYSA-N 0 3 193.315 2.558 10 30 AFEEHN CCC(CC)CCN[C@H](C)CC#N 308310018 573206156 /nfs/dbraw/zinc/20/61/56/573206156.db2.gz QRXRFXLTVASLPZ-SNVBAGLBSA-N 0 3 182.311 2.704 10 30 AFEEHN C#CCN[C@H]1c2ccccc2CC[C@@H]1C 132095831 573207400 /nfs/dbraw/zinc/20/74/00/573207400.db2.gz PULGGTCELHQDJY-SMDDNHRTSA-N 0 3 199.297 2.533 10 30 AFEEHN C#CCN[C@@H]1c2ccccc2CC[C@@H]1C 132096235 573207462 /nfs/dbraw/zinc/20/74/62/573207462.db2.gz PULGGTCELHQDJY-FZMZJTMJSA-N 0 3 199.297 2.533 10 30 AFEEHN C[C@@H]1CC(N(C)CCC#N)C[C@@H](C)C1 82832722 573217732 /nfs/dbraw/zinc/21/77/32/573217732.db2.gz HXKHMIKNTRUFIF-QWRGUYRKSA-N 0 3 194.322 2.657 10 30 AFEEHN C[C@H]1CC(N(C)CCC#N)C[C@H](C)C1 82832723 573219537 /nfs/dbraw/zinc/21/95/37/573219537.db2.gz HXKHMIKNTRUFIF-GHMZBOCLSA-N 0 3 194.322 2.657 10 30 AFEEHN C=CCN[C@H](c1ccncc1)C(C)C 308518880 573220219 /nfs/dbraw/zinc/22/02/19/573220219.db2.gz NZCQHRHMFADVRS-LBPRGKRZSA-N 0 3 190.290 2.554 10 30 AFEEHN C=CC[C@H](C)C(=O)[C@@H](N)C[C@H](C)CC 715711141 573231924 /nfs/dbraw/zinc/23/19/24/573231924.db2.gz ULHDAZZHTQAJNW-VWYCJHECSA-N 0 3 197.322 2.531 10 30 AFEEHN C=CC[C@H](C)C(=O)[C@H](N)C[C@@H](C)CC 715711136 573231581 /nfs/dbraw/zinc/23/15/81/573231581.db2.gz ULHDAZZHTQAJNW-GARJFASQSA-N 0 3 197.322 2.531 10 30 AFEEHN C=CC[C@H](C)C(=O)[C@H](N)C[C@H](C)CC 715711138 573232116 /nfs/dbraw/zinc/23/21/16/573232116.db2.gz ULHDAZZHTQAJNW-OUAUKWLOSA-N 0 3 197.322 2.531 10 30 AFEEHN C=CC[C@H](C)C(=O)[C@@H](N)C[C@@H](C)CC 715711130 573233512 /nfs/dbraw/zinc/23/35/12/573233512.db2.gz ULHDAZZHTQAJNW-DCAQKATOSA-N 0 3 197.322 2.531 10 30 AFEEHN CC[C@@H](CC#N)N1CCC[C@@H](C)[C@@H]1C 224698841 573245114 /nfs/dbraw/zinc/24/51/14/573245114.db2.gz XLHSDGWRTDOBPO-WOPDTQHZSA-N 0 3 194.322 2.799 10 30 AFEEHN CN=CNc1ccccc1C(C)C 238315657 573245370 /nfs/dbraw/zinc/24/53/70/573245370.db2.gz RKLQDKFLLBPIEY-UHFFFAOYSA-N 0 3 176.263 2.689 10 30 AFEEHN CCC(C)(C)CN[C@H](C)[C@@H](C)C#N 308322006 573249963 /nfs/dbraw/zinc/24/99/63/573249963.db2.gz ZGWXLDPVQPBZIA-VHSXEESVSA-N 0 3 182.311 2.560 10 30 AFEEHN C=CCN(CC=C)CC=C1CCC1 308327845 573252438 /nfs/dbraw/zinc/25/24/38/573252438.db2.gz HYARJDADQKOSKW-UHFFFAOYSA-N 0 3 177.291 2.771 10 30 AFEEHN C[C@H](N(C)[C@H](C)CC#N)C(C)(C)C 42764042 573253026 /nfs/dbraw/zinc/25/30/26/573253026.db2.gz APCJYWFQIMYCHJ-ZJUUUORDSA-N 0 3 182.311 2.655 10 30 AFEEHN C[C@H](C#N)CN(C)[C@@H](C)C(C)(C)C 42763928 573255857 /nfs/dbraw/zinc/25/58/57/573255857.db2.gz JKJDKWPLUTWEHV-ZJUUUORDSA-N 0 3 182.311 2.512 10 30 AFEEHN C[C@@H]1[C@@H](C#N)CCN1C1CCCCC1 259398116 573263933 /nfs/dbraw/zinc/26/39/33/573263933.db2.gz XLKVAYJOLSOQTG-GHMZBOCLSA-N 0 3 192.306 2.553 10 30 AFEEHN C[C@H]1[C@H](C#N)CCN1C1CCCCC1 259398124 573265120 /nfs/dbraw/zinc/26/51/20/573265120.db2.gz XLKVAYJOLSOQTG-QWRGUYRKSA-N 0 3 192.306 2.553 10 30 AFEEHN C[C@H]1[C@@H](C#N)CCN1C1CCCCC1 259398127 573265932 /nfs/dbraw/zinc/26/59/32/573265932.db2.gz XLKVAYJOLSOQTG-WDEREUQCSA-N 0 3 192.306 2.553 10 30 AFEEHN C[C@@H]1[C@H](C#N)CCN1C1CCCCC1 259398120 573268556 /nfs/dbraw/zinc/26/85/56/573268556.db2.gz XLKVAYJOLSOQTG-MNOVXSKESA-N 0 3 192.306 2.553 10 30 AFEEHN C[C@H]1CC[C@@H](CNCC(C)(C)C#N)C1 405093620 573278200 /nfs/dbraw/zinc/27/82/00/573278200.db2.gz HZTXLYWFXBJAHD-WDEREUQCSA-N 0 3 194.322 2.562 10 30 AFEEHN CC[C@H](C#N)[C@H](NC)C1CCCCC1 259402271 573282593 /nfs/dbraw/zinc/28/25/93/573282593.db2.gz XBUQPMMTPLNCIS-PWSUYJOCSA-N 0 3 194.322 2.704 10 30 AFEEHN CC[C@@H](C#N)[C@H](NC)C1CCCCC1 259402269 573282680 /nfs/dbraw/zinc/28/26/80/573282680.db2.gz XBUQPMMTPLNCIS-JQWIXIFHSA-N 0 3 194.322 2.704 10 30 AFEEHN CCCc1ccc([C@H]([S-])C[NH3+])cc1 259403725 573282727 /nfs/dbraw/zinc/28/27/27/573282727.db2.gz XPEFIGMXJVRMAK-LLVKDONJSA-N 0 3 195.331 2.569 10 30 AFEEHN C#CCN[C@@H]1CC[C@H](C)c2ccccc21 132283557 573286020 /nfs/dbraw/zinc/28/60/20/573286020.db2.gz ZTQXXILMWKDIDG-SMDDNHRTSA-N 0 3 199.297 2.848 10 30 AFEEHN CC[C@H](C#N)[C@@H](NC)C1CCCCC1 259402274 573285911 /nfs/dbraw/zinc/28/59/11/573285911.db2.gz XBUQPMMTPLNCIS-ZYHUDNBSSA-N 0 3 194.322 2.704 10 30 AFEEHN C#CCN[C@H]1CC[C@H](C)c2ccccc21 132283125 573286660 /nfs/dbraw/zinc/28/66/60/573286660.db2.gz ZTQXXILMWKDIDG-FZMZJTMJSA-N 0 3 199.297 2.848 10 30 AFEEHN C=CC[C@H](C)C(=O)[C@H](N)CC(C)(C)C 715756997 573286827 /nfs/dbraw/zinc/28/68/27/573286827.db2.gz MSXQGCSQSVDQGK-VHSXEESVSA-N 0 3 197.322 2.531 10 30 AFEEHN CC[C@H](C#N)CNCCC(C)(C)C 259069511 573286935 /nfs/dbraw/zinc/28/69/35/573286935.db2.gz UHJCDRNVAYAMLY-SNVBAGLBSA-N 0 3 182.311 2.562 10 30 AFEEHN C#CCN[C@H]1CC[C@@H](C)c2ccccc21 132282927 573287338 /nfs/dbraw/zinc/28/73/38/573287338.db2.gz ZTQXXILMWKDIDG-RISCZKNCSA-N 0 3 199.297 2.848 10 30 AFEEHN CN[C@@H](CCC#N)c1sccc1C 259405945 573290314 /nfs/dbraw/zinc/29/03/14/573290314.db2.gz MVHMIEVMFJZRRR-VIFPVBQESA-N 0 3 194.303 2.621 10 30 AFEEHN C=CC[C@@H](NC)c1cc(C)cc(C)n1 308541053 573302081 /nfs/dbraw/zinc/30/20/81/573302081.db2.gz MROGOAXFKDQHQR-LLVKDONJSA-N 0 3 190.290 2.535 10 30 AFEEHN C=CC[C@H](NC)c1cc(C)cc(C)n1 308541054 573301403 /nfs/dbraw/zinc/30/14/03/573301403.db2.gz MROGOAXFKDQHQR-NSHDSACASA-N 0 3 190.290 2.535 10 30 AFEEHN CC(C)[C@H]1CC[C@H](NC[C@H](C)C#N)C1 308544857 573307857 /nfs/dbraw/zinc/30/78/57/573307857.db2.gz VOHAXOKYWYWVTK-WOPDTQHZSA-N 0 3 194.322 2.560 10 30 AFEEHN CC(C)[C@@H]1CC[C@@H](NC[C@H](C)C#N)C1 308544855 573308832 /nfs/dbraw/zinc/30/88/32/573308832.db2.gz VOHAXOKYWYWVTK-IJLUTSLNSA-N 0 3 194.322 2.560 10 30 AFEEHN CC(C)[C@@H]1CC[C@H](NC[C@H](C)C#N)C1 308544856 573308877 /nfs/dbraw/zinc/30/88/77/573308877.db2.gz VOHAXOKYWYWVTK-UTUOFQBUSA-N 0 3 194.322 2.560 10 30 AFEEHN CC(C)[C@H]1CC[C@@H](NC[C@H](C)C#N)C1 308544854 573309136 /nfs/dbraw/zinc/30/91/36/573309136.db2.gz VOHAXOKYWYWVTK-GRYCIOLGSA-N 0 3 194.322 2.560 10 30 AFEEHN C=CCN(CC=C)[C@@H]1CCCSC1 308349900 573335473 /nfs/dbraw/zinc/33/54/73/573335473.db2.gz XRHWVISIFLTYTK-LLVKDONJSA-N 0 3 197.347 2.556 10 30 AFEEHN CC(C)c1ccc([C@H]([S-])C[NH3+])cc1 259088602 573335523 /nfs/dbraw/zinc/33/55/23/573335523.db2.gz DPTHEKFJBRQGLH-LLVKDONJSA-N 0 3 195.331 2.740 10 30 AFEEHN CC(C)c1ccc([C@@H]([S-])C[NH3+])cc1 259088605 573335768 /nfs/dbraw/zinc/33/57/68/573335768.db2.gz DPTHEKFJBRQGLH-NSHDSACASA-N 0 3 195.331 2.740 10 30 AFEEHN C=CCN(CC=C)[C@H]1CCCSC1 308349901 573336348 /nfs/dbraw/zinc/33/63/48/573336348.db2.gz XRHWVISIFLTYTK-NSHDSACASA-N 0 3 197.347 2.556 10 30 AFEEHN CN[C@@H](CCC#N)c1cccc(C)c1 259425737 573349651 /nfs/dbraw/zinc/34/96/51/573349651.db2.gz NTHGEXMWPQDRAO-LBPRGKRZSA-N 0 3 188.274 2.559 10 30 AFEEHN N#CC1([C@H](N)C2CCCCC2)CCC1 259427416 573354276 /nfs/dbraw/zinc/35/42/76/573354276.db2.gz MYQOJXBIVZUPFX-LLVKDONJSA-N 0 3 192.306 2.588 10 30 AFEEHN CCCC(C)(C)N[C@H](CC)CC#N 126122888 573354782 /nfs/dbraw/zinc/35/47/82/573354782.db2.gz YUSMCEQOARZFTN-SNVBAGLBSA-N 0 3 182.311 2.847 10 30 AFEEHN C=C(C)[C@H](NCC)c1ccncc1C 132952923 573355274 /nfs/dbraw/zinc/35/52/74/573355274.db2.gz MVDUZNKQPUFWAB-LBPRGKRZSA-N 0 3 190.290 2.617 10 30 AFEEHN C=C(C)[C@@H](NCC)c1ccncc1C 132952673 573355831 /nfs/dbraw/zinc/35/58/31/573355831.db2.gz MVDUZNKQPUFWAB-GFCCVEGCSA-N 0 3 190.290 2.617 10 30 AFEEHN CCCCN(CCC#N)C(C)(C)C 308363237 573359776 /nfs/dbraw/zinc/35/97/76/573359776.db2.gz MVQSCYBNGHSZAR-UHFFFAOYSA-N 0 3 182.311 2.801 10 30 AFEEHN CCCC(C)(C)N[C@@H]1CCC[C@H]1C#N 126128923 573363835 /nfs/dbraw/zinc/36/38/35/573363835.db2.gz LBULOPTYZMLSEJ-WDEREUQCSA-N 0 3 194.322 2.847 10 30 AFEEHN CCCC(C)(C)N[C@H]1CCC[C@@H]1C#N 126128729 573367572 /nfs/dbraw/zinc/36/75/72/573367572.db2.gz LBULOPTYZMLSEJ-MNOVXSKESA-N 0 3 194.322 2.847 10 30 AFEEHN C#CCN[C@H]1CCCc2ccc(C)cc21 126132609 573372309 /nfs/dbraw/zinc/37/23/09/573372309.db2.gz HPHUZDGOWLSALS-AWEZNQCLSA-N 0 3 199.297 2.595 10 30 AFEEHN C=CC[C@H](C)N(CCC#N)C(C)C 715787283 573380291 /nfs/dbraw/zinc/38/02/91/573380291.db2.gz LQTLWADFQQIYRE-NSHDSACASA-N 0 3 180.295 2.575 10 30 AFEEHN C=C[C@H](C)[C@H](N)c1cc(F)ccc1F 238373384 573380314 /nfs/dbraw/zinc/38/03/14/573380314.db2.gz KBMJHCVGIISXTQ-CPCISQLKSA-N 0 3 197.228 2.787 10 30 AFEEHN C=CC[C@@H](C)N(CCC#N)C(C)C 715787282 573380352 /nfs/dbraw/zinc/38/03/52/573380352.db2.gz LQTLWADFQQIYRE-LLVKDONJSA-N 0 3 180.295 2.575 10 30 AFEEHN C=C[C@H](C)[C@H](N)c1c(F)cccc1F 238373348 573380353 /nfs/dbraw/zinc/38/03/53/573380353.db2.gz AAIQKKHQLSLKHF-CPCISQLKSA-N 0 3 197.228 2.787 10 30 AFEEHN C=CC[C@@H](C)[C@@H](N)c1cccc(C)n1 715787336 573384656 /nfs/dbraw/zinc/38/46/56/573384656.db2.gz WAYUHVCTUTVMFX-BXKDBHETSA-N 0 3 190.290 2.602 10 30 AFEEHN C=CC[C@@H](NCC)c1occc1C 133195674 573384930 /nfs/dbraw/zinc/38/49/30/573384930.db2.gz ULJZWBDTZGFFPP-SNVBAGLBSA-N 0 3 179.263 2.815 10 30 AFEEHN C=CC[C@H](C)[C@@H](N)c1cccc(C)n1 715787343 573385134 /nfs/dbraw/zinc/38/51/34/573385134.db2.gz WAYUHVCTUTVMFX-JOYOIKCWSA-N 0 3 190.290 2.602 10 30 AFEEHN CC1(C)CC(C#N)C(=O)C(C)(C)C1 118398075 573402328 /nfs/dbraw/zinc/40/23/28/573402328.db2.gz FBJMGTDBZLYDBX-MRVPVSSYSA-N 0 3 179.263 2.541 10 30 AFEEHN CC1(C)CC(C#N)C(=O)C(C)(C)C1 118398073 573402573 /nfs/dbraw/zinc/40/25/73/573402573.db2.gz FBJMGTDBZLYDBX-QMMMGPOBSA-N 0 3 179.263 2.541 10 30 AFEEHN C=C[C@H](N)c1cc(OC)ccc1Cl 211748966 573411234 /nfs/dbraw/zinc/41/12/34/573411234.db2.gz FRRIQJCQLYLPIY-JTQLQIEISA-N 0 3 197.665 2.534 10 30 AFEEHN C=C(C)CN[C@H](C)c1cc(C)ccn1 308581598 573431969 /nfs/dbraw/zinc/43/19/69/573431969.db2.gz PKFCYEFAAXHNRR-LLVKDONJSA-N 0 3 190.290 2.617 10 30 AFEEHN CCC[C@H](N[C@H](CC)CC#N)C1CC1 308581463 573435553 /nfs/dbraw/zinc/43/55/53/573435553.db2.gz JYIBNMUMJMXWJS-NEPJUHHUSA-N 0 3 194.322 2.847 10 30 AFEEHN C[C@@H](N)C#Cc1cccc2ccccc12 126233818 573435631 /nfs/dbraw/zinc/43/56/31/573435631.db2.gz NHLPMYONFDDNCR-LLVKDONJSA-N 0 3 195.265 2.539 10 30 AFEEHN C#CCN[C@@H](CCC)c1cccs1 50522187 573438883 /nfs/dbraw/zinc/43/88/83/573438883.db2.gz FHXDLMGFZCGUCW-JTQLQIEISA-N 0 3 193.315 2.812 10 30 AFEEHN C=CCN[C@@H](C)c1sc(C)nc1C 50522039 573438903 /nfs/dbraw/zinc/43/89/03/573438903.db2.gz UFPRABYWFOAZPX-ZETCQYMHSA-N 0 3 196.319 2.597 10 30 AFEEHN C#CCN[C@H](CCC)c1cccs1 50522188 573439781 /nfs/dbraw/zinc/43/97/81/573439781.db2.gz FHXDLMGFZCGUCW-SNVBAGLBSA-N 0 3 193.315 2.812 10 30 AFEEHN C[C@H](N)C#Cc1cccc2ccccc12 126233605 573440098 /nfs/dbraw/zinc/44/00/98/573440098.db2.gz NHLPMYONFDDNCR-NSHDSACASA-N 0 3 195.265 2.539 10 30 AFEEHN C=CCNCc1cc2c(s1)CCC2 50522043 573444193 /nfs/dbraw/zinc/44/41/93/573444193.db2.gz WXYCTKQZLBBWNI-UHFFFAOYSA-N 0 3 193.315 2.512 10 30 AFEEHN CC[C@H](C#N)CNC1CCCCCC1 258654092 573448069 /nfs/dbraw/zinc/44/80/69/573448069.db2.gz MYCSWKWMVLPUCU-LLVKDONJSA-N 0 3 194.322 2.849 10 30 AFEEHN CCCC1(CN[C@H](C)CC#N)CCC1 308588239 573448626 /nfs/dbraw/zinc/44/86/26/573448626.db2.gz JHEIUQZUDWOOKL-LLVKDONJSA-N 0 3 194.322 2.849 10 30 AFEEHN CC(C)[C@H](C#N)CNC1CCCCC1 258658454 573451431 /nfs/dbraw/zinc/45/14/31/573451431.db2.gz NJMWGSBWXHZNTF-LLVKDONJSA-N 0 3 194.322 2.704 10 30 AFEEHN CCCC1(CN[C@@H](C)CC#N)CCC1 308588240 573452427 /nfs/dbraw/zinc/45/24/27/573452427.db2.gz JHEIUQZUDWOOKL-NSHDSACASA-N 0 3 194.322 2.849 10 30 AFEEHN C=C(C)C(C)(C)[C@H]1NC[C@@H](C)S1 238405308 573462068 /nfs/dbraw/zinc/46/20/68/573462068.db2.gz LSQUDSFRUOTOAF-BDAKNGLRSA-N 0 3 185.336 2.640 10 30 AFEEHN C=CC[C@H](C)[C@H](N)c1cnc(C)s1 715812635 573466306 /nfs/dbraw/zinc/46/63/06/573466306.db2.gz MDBKGTKNABDAGQ-XVKPBYJWSA-N 0 3 196.319 2.664 10 30 AFEEHN C=CC[C@@H](C)[C@@H](N)c1cnc(C)s1 715812625 573466397 /nfs/dbraw/zinc/46/63/97/573466397.db2.gz MDBKGTKNABDAGQ-GMSGAONNSA-N 0 3 196.319 2.664 10 30 AFEEHN CC[C@H]1CC[C@H](C)N1[C@H](CC)CC#N 224196365 573466582 /nfs/dbraw/zinc/46/65/82/573466582.db2.gz ZVNVEBVBGWKNIF-SDDRHHMPSA-N 0 3 194.322 2.942 10 30 AFEEHN C=CC[C@@H](C)[C@H](N)c1cnc(C)s1 715812633 573467017 /nfs/dbraw/zinc/46/70/17/573467017.db2.gz MDBKGTKNABDAGQ-XCBNKYQSSA-N 0 3 196.319 2.664 10 30 AFEEHN C#C[C@H](NCCC)c1sccc1C 130114315 573471067 /nfs/dbraw/zinc/47/10/67/573471067.db2.gz VDGPUSKNSQUNOR-JTQLQIEISA-N 0 3 193.315 2.730 10 30 AFEEHN CCN(C)[C@@H](C)c1ccc(C#N)s1 306419896 573471177 /nfs/dbraw/zinc/47/11/77/573471177.db2.gz YADXBOXGDQAYMT-QMMMGPOBSA-N 0 3 194.303 2.632 10 30 AFEEHN CC(C)(C)N1C[C@H](C#N)CCC1(C)C 259468967 573480105 /nfs/dbraw/zinc/48/01/05/573480105.db2.gz QPPVYJNPBXRKFJ-JTQLQIEISA-N 0 3 194.322 2.799 10 30 AFEEHN CC(C)[C@H](C#N)CNCCC(C)(C)C 259106376 573483026 /nfs/dbraw/zinc/48/30/26/573483026.db2.gz XIXUYXQGAHCRBE-LLVKDONJSA-N 0 3 196.338 2.808 10 30 AFEEHN C#C[C@@H](NCC)c1ccccc1CC 130222248 573487772 /nfs/dbraw/zinc/48/77/72/573487772.db2.gz IVJNDEOEDXZCBC-CYBMUJFWSA-N 0 3 187.286 2.533 10 30 AFEEHN Cc1ccc([C@@H](CCS)N(C)C)o1 259470180 573490490 /nfs/dbraw/zinc/49/04/90/573490490.db2.gz KDVVWTBUAJDYOO-SECBINFHSA-N 0 3 199.319 2.511 10 30 AFEEHN CC1(C)C[C@@H](C#N)CN1C1CCCC1 259472474 573490239 /nfs/dbraw/zinc/49/02/39/573490239.db2.gz QWRYUDBDQLHBNS-JTQLQIEISA-N 0 3 192.306 2.553 10 30 AFEEHN C#C[C@H](NCC)c1ccccc1CC 130222470 573492205 /nfs/dbraw/zinc/49/22/05/573492205.db2.gz IVJNDEOEDXZCBC-ZDUSSCGKSA-N 0 3 187.286 2.533 10 30 AFEEHN CC1(C)CCC[C@H](NCCC#N)CC1 83435290 573498086 /nfs/dbraw/zinc/49/80/86/573498086.db2.gz DOBMVHCEKXINRF-NSHDSACASA-N 0 3 194.322 2.849 10 30 AFEEHN CN[C@@H](C1CCCCC1)C(C)(C)C#N 259483511 573515751 /nfs/dbraw/zinc/51/57/51/573515751.db2.gz QUVYRMXSJMGPEE-NSHDSACASA-N 0 3 194.322 2.704 10 30 AFEEHN CN[C@H](C1CCCCC1)C(C)(C)C#N 259483508 573515974 /nfs/dbraw/zinc/51/59/74/573515974.db2.gz QUVYRMXSJMGPEE-LLVKDONJSA-N 0 3 194.322 2.704 10 30 AFEEHN C=C[C@@H](C)[C@@H](N)c1cccc(F)c1F 238435289 573540357 /nfs/dbraw/zinc/54/03/57/573540357.db2.gz ULSPSCDZJLPTIE-RDDDGLTNSA-N 0 3 197.228 2.787 10 30 AFEEHN CCC(CC)[C@H](C)N[C@H](C)[C@@H](C)C#N 308618526 573541463 /nfs/dbraw/zinc/54/14/63/573541463.db2.gz SJYMTUXNLLTUPX-AXFHLTTASA-N 0 3 196.338 2.949 10 30 AFEEHN C=C[C@@H](C)[C@@H](N)c1c(F)cccc1F 238435195 573541187 /nfs/dbraw/zinc/54/11/87/573541187.db2.gz AAIQKKHQLSLKHF-RDDDGLTNSA-N 0 3 197.228 2.787 10 30 AFEEHN C=C[C@@H](C)[C@@H](N)c1cc(F)ccc1F 238435226 573543616 /nfs/dbraw/zinc/54/36/16/573543616.db2.gz KBMJHCVGIISXTQ-RDDDGLTNSA-N 0 3 197.228 2.787 10 30 AFEEHN CCC(CC)[C@H](C)N[C@@H](C)[C@H](C)C#N 308618855 573545136 /nfs/dbraw/zinc/54/51/36/573545136.db2.gz SJYMTUXNLLTUPX-VWYCJHECSA-N 0 3 196.338 2.949 10 30 AFEEHN CN[C@@H](CCC#N)c1ccccc1C 259118324 573547641 /nfs/dbraw/zinc/54/76/41/573547641.db2.gz BDAIREHZZZEWTD-LBPRGKRZSA-N 0 3 188.274 2.559 10 30 AFEEHN C=C[C@H](N)c1ccc(CCCC)cn1 238264484 573548945 /nfs/dbraw/zinc/54/89/45/573548945.db2.gz GWTYTJHXXDYUSL-NSHDSACASA-N 0 3 190.290 2.610 10 30 AFEEHN CN[C@H](C1CCCC1)[C@@H](C#N)C(C)C 259120015 573551282 /nfs/dbraw/zinc/55/12/82/573551282.db2.gz GGZDCOUETARTCW-NWDGAFQWSA-N 0 3 194.322 2.560 10 30 AFEEHN C=C[C@@H](C)[C@H](N)c1cccc(F)c1F 238437144 573551372 /nfs/dbraw/zinc/55/13/72/573551372.db2.gz ULSPSCDZJLPTIE-HQJQHLMTSA-N 0 3 197.228 2.787 10 30 AFEEHN CN[C@H](C1CCCC1)[C@H](C#N)C(C)C 259120025 573551397 /nfs/dbraw/zinc/55/13/97/573551397.db2.gz GGZDCOUETARTCW-VXGBXAGGSA-N 0 3 194.322 2.560 10 30 AFEEHN C=C[C@@H](C)[C@H](N)c1c(F)cccc1F 238437054 573551594 /nfs/dbraw/zinc/55/15/94/573551594.db2.gz AAIQKKHQLSLKHF-HQJQHLMTSA-N 0 3 197.228 2.787 10 30 AFEEHN CN[C@@H](C1CCCC1)[C@@H](C#N)C(C)C 259120020 573552174 /nfs/dbraw/zinc/55/21/74/573552174.db2.gz GGZDCOUETARTCW-RYUDHWBXSA-N 0 3 194.322 2.560 10 30 AFEEHN CN[C@@H](C1CCCC1)[C@H](C#N)C(C)C 259120013 573552850 /nfs/dbraw/zinc/55/28/50/573552850.db2.gz GGZDCOUETARTCW-NEPJUHHUSA-N 0 3 194.322 2.560 10 30 AFEEHN C=C[C@@H](C)[C@H](N)c1cc(F)ccc1F 238437088 573553623 /nfs/dbraw/zinc/55/36/23/573553623.db2.gz KBMJHCVGIISXTQ-HQJQHLMTSA-N 0 3 197.228 2.787 10 30 AFEEHN CC(C)CCN1CC[C@@H](C#N)C1(C)C 259505037 573558891 /nfs/dbraw/zinc/55/88/91/573558891.db2.gz TZJZSMBJAVLOTC-NSHDSACASA-N 0 3 194.322 2.657 10 30 AFEEHN CC[C@H](C)N1CCC[C@@H](C#N)C1(C)C 259511640 573564714 /nfs/dbraw/zinc/56/47/14/573564714.db2.gz UNEWWQRUHQBLAE-QWRGUYRKSA-N 0 3 194.322 2.799 10 30 AFEEHN CC[C@H](C)N1CCC[C@H](C#N)C1(C)C 259511642 573564904 /nfs/dbraw/zinc/56/49/04/573564904.db2.gz UNEWWQRUHQBLAE-WDEREUQCSA-N 0 3 194.322 2.799 10 30 AFEEHN CC[C@@H](C)N1CCC[C@H](C#N)C1(C)C 259511635 573565015 /nfs/dbraw/zinc/56/50/15/573565015.db2.gz UNEWWQRUHQBLAE-GHMZBOCLSA-N 0 3 194.322 2.799 10 30 AFEEHN N#CC1([C@H]2CCCCN2)CCCCC1 259512219 573566946 /nfs/dbraw/zinc/56/69/46/573566946.db2.gz ABJNZQKDPPBASI-LLVKDONJSA-N 0 3 192.306 2.603 10 30 AFEEHN CC[C@@H](C)N1CCC[C@@H](C#N)C1(C)C 259511638 573569074 /nfs/dbraw/zinc/56/90/74/573569074.db2.gz UNEWWQRUHQBLAE-MNOVXSKESA-N 0 3 194.322 2.799 10 30 AFEEHN N#CC1([C@@H]2CCCCN2)CCCCC1 259512220 573569252 /nfs/dbraw/zinc/56/92/52/573569252.db2.gz ABJNZQKDPPBASI-NSHDSACASA-N 0 3 192.306 2.603 10 30 AFEEHN CC[NH2+][C@H](C)[C@H]([S-])c1ccccc1 238272102 573571841 /nfs/dbraw/zinc/57/18/41/573571841.db2.gz AJTQJWJRFPKNKF-KOLCDFICSA-N 0 3 195.331 2.656 10 30 AFEEHN CC(C)(C)C[C@H]1NCCCC[C@H]1C#N 259516057 573580070 /nfs/dbraw/zinc/58/00/70/573580070.db2.gz ALXSFJCDAVDNNU-WDEREUQCSA-N 0 3 194.322 2.704 10 30 AFEEHN CC(C)(C)C[C@H]1NCCCC[C@@H]1C#N 259516056 573580203 /nfs/dbraw/zinc/58/02/03/573580203.db2.gz ALXSFJCDAVDNNU-GHMZBOCLSA-N 0 3 194.322 2.704 10 30 AFEEHN C=CCC[C@H](C)N(CC)CCC#N 308403417 573585180 /nfs/dbraw/zinc/58/51/80/573585180.db2.gz IFARHOGFXBYYQK-NSHDSACASA-N 0 3 180.295 2.577 10 30 AFEEHN C=CCC[C@@H](C)N(CC)CCC#N 308403190 573585296 /nfs/dbraw/zinc/58/52/96/573585296.db2.gz IFARHOGFXBYYQK-LLVKDONJSA-N 0 3 180.295 2.577 10 30 AFEEHN CSc1ccccc1C(F)C=O 257833652 573586591 /nfs/dbraw/zinc/58/65/91/573586591.db2.gz KLLOXBDNYVZZLT-MRVPVSSYSA-N 0 3 184.235 2.618 10 30 AFEEHN CCC(C)(C)CNC[C@H](C#N)C(C)C 259116911 573586736 /nfs/dbraw/zinc/58/67/36/573586736.db2.gz YAZSHDQEXSJFPP-NSHDSACASA-N 0 3 196.338 2.808 10 30 AFEEHN Cc1ccc(C)c([C@@H](N)CCC#N)c1 259519558 573586763 /nfs/dbraw/zinc/58/67/63/573586763.db2.gz SBTCLLIAUGPKSC-LBPRGKRZSA-N 0 3 188.274 2.607 10 30 AFEEHN CCc1ccc([C@H](N)CCC#N)cc1 259516779 573588409 /nfs/dbraw/zinc/58/84/09/573588409.db2.gz RYKZDLCKNLBBQL-GFCCVEGCSA-N 0 3 188.274 2.553 10 30 AFEEHN C[C@@H](CC#N)N1CCCC(C)(C)CC1 83680508 573589913 /nfs/dbraw/zinc/58/99/13/573589913.db2.gz WEPLQGZYGIDORN-NSHDSACASA-N 0 3 194.322 2.801 10 30 AFEEHN CSc1ccccc1C(F)C=O 257833653 573589589 /nfs/dbraw/zinc/58/95/89/573589589.db2.gz KLLOXBDNYVZZLT-QMMMGPOBSA-N 0 3 184.235 2.618 10 30 AFEEHN CC(C)CCCNC[C@H](C#N)C(C)C 259134839 573595520 /nfs/dbraw/zinc/59/55/20/573595520.db2.gz ZERNAFKSRHNOQM-LBPRGKRZSA-N 0 3 196.338 2.808 10 30 AFEEHN CC(C)CCCNC[C@@H](C#N)C(C)C 259134836 573595720 /nfs/dbraw/zinc/59/57/20/573595720.db2.gz ZERNAFKSRHNOQM-GFCCVEGCSA-N 0 3 196.338 2.808 10 30 AFEEHN C=C[C@H](NC)c1sccc1CC 130563370 573599958 /nfs/dbraw/zinc/59/99/58/573599958.db2.gz UDFCOEPOMHGQHZ-VIFPVBQESA-N 0 3 181.304 2.757 10 30 AFEEHN C[C@H](CC#N)N1CCC[C@H]2CCC[C@@H]21 83701002 573600268 /nfs/dbraw/zinc/60/02/68/573600268.db2.gz RVWRBDNFZBKENW-UTUOFQBUSA-N 0 3 192.306 2.553 10 30 AFEEHN CC[C@@H](C#N)CN(C)CC1CCCC1 259123269 573604041 /nfs/dbraw/zinc/60/40/41/573604041.db2.gz YMVNAKSNDBBGBH-NSHDSACASA-N 0 3 194.322 2.658 10 30 AFEEHN C=C[C@@H](NC)c1ccc(CC)s1 130587914 573605374 /nfs/dbraw/zinc/60/53/74/573605374.db2.gz ACDHTVKCASWRFA-SECBINFHSA-N 0 3 181.304 2.757 10 30 AFEEHN C=C[C@H](NC)c1ccc(CC)s1 130588126 573605522 /nfs/dbraw/zinc/60/55/22/573605522.db2.gz ACDHTVKCASWRFA-VIFPVBQESA-N 0 3 181.304 2.757 10 30 AFEEHN C=C[C@@H](NCCC)c1coc(C)c1 130572676 573608137 /nfs/dbraw/zinc/60/81/37/573608137.db2.gz VLEQNWXCQWKQMN-LLVKDONJSA-N 0 3 179.263 2.815 10 30 AFEEHN C=C[C@H](NCCC)c1coc(C)c1 130572489 573608883 /nfs/dbraw/zinc/60/88/83/573608883.db2.gz VLEQNWXCQWKQMN-NSHDSACASA-N 0 3 179.263 2.815 10 30 AFEEHN C=C(CC)CNC/C(C)=C/Cl 313545420 573611987 /nfs/dbraw/zinc/61/19/87/573611987.db2.gz XKLDOTOBESBYBN-WEVVVXLNSA-N 0 3 173.687 2.685 10 30 AFEEHN C=C[C@H](NC)c1ccc(OCC)cc1 130608938 573612135 /nfs/dbraw/zinc/61/21/35/573612135.db2.gz UIMVQLZBZZVPBM-LBPRGKRZSA-N 0 3 191.274 2.532 10 30 AFEEHN CC(C)C[C@H](CC#N)NC[C@H]1C[C@H]1C 308642573 573613915 /nfs/dbraw/zinc/61/39/15/573613915.db2.gz FNSGKDFEUMJUAZ-UTUOFQBUSA-N 0 3 194.322 2.560 10 30 AFEEHN C=C[C@@H](N)c1cc2c(C)cccc2[nH]1 238451171 573618324 /nfs/dbraw/zinc/61/83/24/573618324.db2.gz BJCNRPZFCFKKFN-SNVBAGLBSA-N 0 3 186.258 2.662 10 30 AFEEHN CN(C)[C@H](C(C)(C)C)C1(C#N)CCC1 259528721 573619127 /nfs/dbraw/zinc/61/91/27/573619127.db2.gz NDIULOBFXMXYOK-SNVBAGLBSA-N 0 3 194.322 2.657 10 30 AFEEHN C=C[C@@H](NCC)c1sccc1C 130517759 573619339 /nfs/dbraw/zinc/61/93/39/573619339.db2.gz GUMIDPAQNUWONF-SECBINFHSA-N 0 3 181.304 2.893 10 30 AFEEHN C[C@H](C#N)[C@@H](C)NC[C@@H](C)C(C)(C)C 308644808 573624314 /nfs/dbraw/zinc/62/43/14/573624314.db2.gz GZIGYVQPSYVUSM-GMTAPVOTSA-N 0 3 196.338 2.806 10 30 AFEEHN C[C@H](C#N)[C@@H](C)NCC1CC(C)(C)C1 308660087 573626763 /nfs/dbraw/zinc/62/67/63/573626763.db2.gz PPFDYISAOMIYIX-NXEZZACHSA-N 0 3 194.322 2.560 10 30 AFEEHN C[C@H](NCC1CC(C)(C)C1)[C@@H](C)C#N 308660088 573626934 /nfs/dbraw/zinc/62/69/34/573626934.db2.gz PPFDYISAOMIYIX-UWVGGRQHSA-N 0 3 194.322 2.560 10 30 AFEEHN C=C[C@@H](NCC)c1ccc(C)cc1F 130632341 573631132 /nfs/dbraw/zinc/63/11/32/573631132.db2.gz CCAJSIGEAPAYPB-GFCCVEGCSA-N 0 3 193.265 2.971 10 30 AFEEHN CCCCN1C[C@H](C#N)CCC1(C)C 259538004 573637016 /nfs/dbraw/zinc/63/70/16/573637016.db2.gz WMOLZJMUGFHFQY-NSHDSACASA-N 0 3 194.322 2.801 10 30 AFEEHN C=C[C@H](NCC)c1cccc(C)c1F 130666814 573642845 /nfs/dbraw/zinc/64/28/45/573642845.db2.gz RUSPDXCGAISKJV-NSHDSACASA-N 0 3 193.265 2.971 10 30 AFEEHN C=C[C@@H](NCC)c1cccc(C)c1F 130667011 573645896 /nfs/dbraw/zinc/64/58/96/573645896.db2.gz RUSPDXCGAISKJV-LLVKDONJSA-N 0 3 193.265 2.971 10 30 AFEEHN CC[C@@H](C)N1C[C@H](C#N)CCC1(C)C 259539730 573645930 /nfs/dbraw/zinc/64/59/30/573645930.db2.gz WNUZRFGJBNFUJB-MNOVXSKESA-N 0 3 194.322 2.799 10 30 AFEEHN CC(C)(C)[C@@H](CC#N)N1CCCCC1 259539113 573646960 /nfs/dbraw/zinc/64/69/60/573646960.db2.gz CJZSLFVMHPMZAC-LLVKDONJSA-N 0 3 194.322 2.801 10 30 AFEEHN CC[C@H](C)N1C[C@@H](C#N)CCC1(C)C 259539737 573648443 /nfs/dbraw/zinc/64/84/43/573648443.db2.gz WNUZRFGJBNFUJB-WDEREUQCSA-N 0 3 194.322 2.799 10 30 AFEEHN C=C[C@@H](NC)c1ccc(SC)cc1 130686266 573650073 /nfs/dbraw/zinc/65/00/73/573650073.db2.gz GSJYFNYJICBFQU-LLVKDONJSA-N 0 3 193.315 2.855 10 30 AFEEHN C=C[C@H](NC)c1ccc(SC)cc1 130686076 573650212 /nfs/dbraw/zinc/65/02/12/573650212.db2.gz GSJYFNYJICBFQU-NSHDSACASA-N 0 3 193.315 2.855 10 30 AFEEHN Cc1ccc([C@H](N)CCC#N)cc1C 259544292 573660181 /nfs/dbraw/zinc/66/01/81/573660181.db2.gz UGTGKJUJQOPODV-GFCCVEGCSA-N 0 3 188.274 2.607 10 30 AFEEHN Cc1ccc([C@@H](N)CCC#N)cc1C 259544294 573661161 /nfs/dbraw/zinc/66/11/61/573661161.db2.gz UGTGKJUJQOPODV-LBPRGKRZSA-N 0 3 188.274 2.607 10 30 AFEEHN C=C[C@H](NC)c1ccccc1SC 130708384 573662017 /nfs/dbraw/zinc/66/20/17/573662017.db2.gz SAEKPARXONNVGY-JTQLQIEISA-N 0 3 193.315 2.855 10 30 AFEEHN C=CC[C@@H]([NH3+])c1cc(C)c(C)cc1[O-] 238475339 573664813 /nfs/dbraw/zinc/66/48/13/573664813.db2.gz LFSFPDLXKKURPY-LLVKDONJSA-N 0 3 191.274 2.585 10 30 AFEEHN CC(C)[C@H](C#N)CNCC1CCCC1 258856175 573669449 /nfs/dbraw/zinc/66/94/49/573669449.db2.gz ACWNPRRCJNOLQS-GFCCVEGCSA-N 0 3 194.322 2.562 10 30 AFEEHN CC(C)(CNCS)C1CCCC1 258855490 573669758 /nfs/dbraw/zinc/66/97/58/573669758.db2.gz DVDMDUWESIIYLW-UHFFFAOYSA-N 0 3 187.352 2.680 10 30 AFEEHN C[C@H](CC#N)N[C@H]1CCCCC1(C)C 86875358 573670153 /nfs/dbraw/zinc/67/01/53/573670153.db2.gz BATDNHZIDRXTND-MNOVXSKESA-N 0 3 194.322 2.847 10 30 AFEEHN C[C@H](CC#N)N[C@@H]1CCCCC1(C)C 86875353 573670300 /nfs/dbraw/zinc/67/03/00/573670300.db2.gz BATDNHZIDRXTND-GHMZBOCLSA-N 0 3 194.322 2.847 10 30 AFEEHN C[C@@H](CC#N)N[C@H]1CCCCC1(C)C 86875356 573670842 /nfs/dbraw/zinc/67/08/42/573670842.db2.gz BATDNHZIDRXTND-QWRGUYRKSA-N 0 3 194.322 2.847 10 30 AFEEHN C=C[C@@H](NC)c1ccccc1CC 130725770 573671176 /nfs/dbraw/zinc/67/11/76/573671176.db2.gz LLMHTDNPYSIHFT-GFCCVEGCSA-N 0 3 175.275 2.696 10 30 AFEEHN C=C[C@H](NCC)c1sccc1OC 130720045 573671669 /nfs/dbraw/zinc/67/16/69/573671669.db2.gz WKAUCRIZFCOXQX-QMMMGPOBSA-N 0 3 197.303 2.593 10 30 AFEEHN C[C@@H](CC#N)N[C@@H]1CCCCC1(C)C 86875348 573671930 /nfs/dbraw/zinc/67/19/30/573671930.db2.gz BATDNHZIDRXTND-WDEREUQCSA-N 0 3 194.322 2.847 10 30 AFEEHN C=C[C@@H](NCC)c1sccc1OC 130720271 573672112 /nfs/dbraw/zinc/67/21/12/573672112.db2.gz WKAUCRIZFCOXQX-MRVPVSSYSA-N 0 3 197.303 2.593 10 30 AFEEHN CC(C)CC(C#N)C(=O)C1CCC1 43374833 573672458 /nfs/dbraw/zinc/67/24/58/573672458.db2.gz QDOLSSOOZUKDKO-JTQLQIEISA-N 0 3 179.263 2.541 10 30 AFEEHN C=C[C@H](NC)c1ccccc1CC 130725984 573673092 /nfs/dbraw/zinc/67/30/92/573673092.db2.gz LLMHTDNPYSIHFT-LBPRGKRZSA-N 0 3 175.275 2.696 10 30 AFEEHN CN(CC(C)(C)C#N)C1CCCCC1 258860408 573674051 /nfs/dbraw/zinc/67/40/51/573674051.db2.gz FLWHXXKCHCCVEU-UHFFFAOYSA-N 0 3 194.322 2.801 10 30 AFEEHN CC(C)CC(C#N)C(=O)C1CCCC1 43374839 573674076 /nfs/dbraw/zinc/67/40/76/573674076.db2.gz XBNKMVRIVFKXKB-LLVKDONJSA-N 0 3 193.290 2.932 10 30 AFEEHN CC(C)CC(C#N)C(=O)C(C)(C)C 43375032 573674732 /nfs/dbraw/zinc/67/47/32/573674732.db2.gz BLCLDEGXDWDFED-SECBINFHSA-N 0 3 181.279 2.787 10 30 AFEEHN CC(C)CC(C#N)C(=O)c1ccoc1 43375119 573674844 /nfs/dbraw/zinc/67/48/44/573674844.db2.gz MKRMMHCHUDJZIK-SNVBAGLBSA-N 0 3 191.230 2.648 10 30 AFEEHN CC(C)CC(C#N)C(=O)C(C)(C)C 43375030 573675223 /nfs/dbraw/zinc/67/52/23/573675223.db2.gz BLCLDEGXDWDFED-VIFPVBQESA-N 0 3 181.279 2.787 10 30 AFEEHN C=C(C)C[C@H](NC)c1coc(C)c1 130806194 573677829 /nfs/dbraw/zinc/67/78/29/573677829.db2.gz TWPAHYLFQQXJII-NSHDSACASA-N 0 3 179.263 2.815 10 30 AFEEHN C=CC1CCN(C[C@@H](F)CC)CC1 308420314 573683904 /nfs/dbraw/zinc/68/39/04/573683904.db2.gz OOTDNGUMSPNQQV-NSHDSACASA-N 0 3 185.286 2.633 10 30 AFEEHN C[C@H](N[C@H](C)CCC1CC1)[C@@H](C)C#N 308670848 573682987 /nfs/dbraw/zinc/68/29/87/573682987.db2.gz VASWETJBWAUWDA-AXFHLTTASA-N 0 3 194.322 2.703 10 30 AFEEHN C=CC1CCN(C[C@H](F)CC)CC1 308420312 573683473 /nfs/dbraw/zinc/68/34/73/573683473.db2.gz OOTDNGUMSPNQQV-LLVKDONJSA-N 0 3 185.286 2.633 10 30 AFEEHN C[C@H](NCC1CCCCC1)[C@@H](C)C#N 308670430 573683981 /nfs/dbraw/zinc/68/39/81/573683981.db2.gz UZHHCLXESCJGME-QWRGUYRKSA-N 0 3 194.322 2.704 10 30 AFEEHN C[C@@H](CCC1CCCC1)NCCC#N 308672497 573684192 /nfs/dbraw/zinc/68/41/92/573684192.db2.gz VKADWJHFMPXWPV-NSHDSACASA-N 0 3 194.322 2.849 10 30 AFEEHN C[C@H](CC#N)NC(C)(C)C1CCCC1 308668236 573684534 /nfs/dbraw/zinc/68/45/34/573684534.db2.gz UHWOIKBPOOJMAC-SNVBAGLBSA-N 0 3 194.322 2.847 10 30 AFEEHN C=CC[C@@H]1CCC[C@H]1N[C@H](C)CC#N 308669121 573685098 /nfs/dbraw/zinc/68/50/98/573685098.db2.gz UQTRBZCDJCVHRY-IJLUTSLNSA-N 0 3 192.306 2.623 10 30 AFEEHN C[C@H](C#N)[C@@H](C)NCC1CCCCC1 308670416 573685255 /nfs/dbraw/zinc/68/52/55/573685255.db2.gz UZHHCLXESCJGME-GHMZBOCLSA-N 0 3 194.322 2.704 10 30 AFEEHN C[C@@H](CC#N)NC(C)(C)C1CCCC1 308668235 573687004 /nfs/dbraw/zinc/68/70/04/573687004.db2.gz UHWOIKBPOOJMAC-JTQLQIEISA-N 0 3 194.322 2.847 10 30 AFEEHN C[C@@H](NCCC#N)C1C(C)(C)C1(C)C 308677037 573688000 /nfs/dbraw/zinc/68/80/00/573688000.db2.gz WNIJKQWFLKLHEK-SECBINFHSA-N 0 3 194.322 2.560 10 30 AFEEHN C=C(C)C(C)(C)[C@H]1NC[C@H](C)S1 238478925 573688650 /nfs/dbraw/zinc/68/86/50/573688650.db2.gz LSQUDSFRUOTOAF-IUCAKERBSA-N 0 3 185.336 2.640 10 30 AFEEHN C=C(C)C[C@@H](N)c1sccc1OC 130856646 573689223 /nfs/dbraw/zinc/68/92/23/573689223.db2.gz RBXRIAKRPBAPLV-MRVPVSSYSA-N 0 3 197.303 2.723 10 30 AFEEHN C[C@H](NCCC#N)C1C(C)(C)C1(C)C 308677038 573689853 /nfs/dbraw/zinc/68/98/53/573689853.db2.gz WNIJKQWFLKLHEK-VIFPVBQESA-N 0 3 194.322 2.560 10 30 AFEEHN CC[C@@H](C#N)CNCC(C)(C)CC 258882996 573689856 /nfs/dbraw/zinc/68/98/56/573689856.db2.gz CFSPFHYQIGMYDE-JTQLQIEISA-N 0 3 182.311 2.562 10 30 AFEEHN C=C[C@@H](N)c1cc(C)ccc1Cl 238481980 573695360 /nfs/dbraw/zinc/69/53/60/573695360.db2.gz ZONZDBKVEBRMMC-SNVBAGLBSA-N 0 3 181.666 2.834 10 30 AFEEHN C=CCN=C(C)Nc1ccccc1C 238482392 573699695 /nfs/dbraw/zinc/69/96/95/573699695.db2.gz OIQBTDVDTGANTR-UHFFFAOYSA-N 0 3 188.274 2.821 10 30 AFEEHN C=CCN=C(C)Nc1ccc(C)cc1 238482343 573701081 /nfs/dbraw/zinc/70/10/81/573701081.db2.gz YUNIQXSXZRGXIN-UHFFFAOYSA-N 0 3 188.274 2.821 10 30 AFEEHN N#CC[C@H]1CCCCN1C1CCCC1 259168630 573701183 /nfs/dbraw/zinc/70/11/83/573701183.db2.gz GPUAOUQMBJXGJW-GFCCVEGCSA-N 0 3 192.306 2.697 10 30 AFEEHN C[C@H](C#N)[C@H](C)NC[C@H]1CCC[C@H]1C 308682469 573701560 /nfs/dbraw/zinc/70/15/60/573701560.db2.gz YBHYOPHFAKEIOH-WISYIIOYSA-N 0 3 194.322 2.560 10 30 AFEEHN N#CC[C@@H]1CCCCN1C1CCCC1 259168636 573701942 /nfs/dbraw/zinc/70/19/42/573701942.db2.gz GPUAOUQMBJXGJW-LBPRGKRZSA-N 0 3 192.306 2.697 10 30 AFEEHN C=CCN=C(C)Nc1ccccc1 238482363 573702100 /nfs/dbraw/zinc/70/21/00/573702100.db2.gz DRRVDFIYUOMXOH-UHFFFAOYSA-N 0 3 174.247 2.512 10 30 AFEEHN C[C@H](C#N)[C@H](C)NC[C@@H]1CCC[C@H]1C 308682470 573703351 /nfs/dbraw/zinc/70/33/51/573703351.db2.gz YBHYOPHFAKEIOH-WYUUTHIRSA-N 0 3 194.322 2.560 10 30 AFEEHN CC(C)(C)C[C@H]1CCN[C@@H](CC#N)C1 259618460 573704809 /nfs/dbraw/zinc/70/48/09/573704809.db2.gz HEIQQJOTZOOIFI-QWRGUYRKSA-N 0 3 194.322 2.704 10 30 AFEEHN CC(C)(C)C[C@@H]1CCN[C@H](CC#N)C1 259618454 573704886 /nfs/dbraw/zinc/70/48/86/573704886.db2.gz HEIQQJOTZOOIFI-GHMZBOCLSA-N 0 3 194.322 2.704 10 30 AFEEHN C#CCCCN[C@H](C)c1occc1C 308679598 573716363 /nfs/dbraw/zinc/71/63/63/573716363.db2.gz XGFLNYCHQRPFPW-LLVKDONJSA-N 0 3 191.274 2.652 10 30 AFEEHN C#CCCCN[C@@H](C)c1occc1C 308679605 573716668 /nfs/dbraw/zinc/71/66/68/573716668.db2.gz XGFLNYCHQRPFPW-NSHDSACASA-N 0 3 191.274 2.652 10 30 AFEEHN CC[C@@H](C#N)CN(C)C1CCCCC1 258894745 573734743 /nfs/dbraw/zinc/73/47/43/573734743.db2.gz DIYWDVAHCUNKHO-NSHDSACASA-N 0 3 194.322 2.801 10 30 AFEEHN N#CC1CCCCCCCCC1=O 223459323 573737621 /nfs/dbraw/zinc/73/76/21/573737621.db2.gz VRCFHGLJBSIDIW-SNVBAGLBSA-N 0 3 179.263 2.830 10 30 AFEEHN C=C[C@H](N)c1c(Cl)cc(C)nc1C 238499916 573741181 /nfs/dbraw/zinc/74/11/81/573741181.db2.gz XNNGLSMCPSGVDP-VIFPVBQESA-N 0 3 196.681 2.538 10 30 AFEEHN C=C(C)C=C=C[C@H](N)c1ccccc1 238074884 573741387 /nfs/dbraw/zinc/74/13/87/573741387.db2.gz XKDBNYLKSBXZFX-ZSCNLULWSA-N 0 3 185.270 2.974 10 30 AFEEHN CC[C@H]1CCCCCN1[C@@H](C)CC#N 108304250 573749425 /nfs/dbraw/zinc/74/94/25/573749425.db2.gz WHSGOACKDWFILI-RYUDHWBXSA-N 0 3 194.322 2.943 10 30 AFEEHN CC[C@@H]1CCCCCN1[C@@H](C)CC#N 108304245 573753105 /nfs/dbraw/zinc/75/31/05/573753105.db2.gz WHSGOACKDWFILI-NWDGAFQWSA-N 0 3 194.322 2.943 10 30 AFEEHN C=C(C)C[C@@H](N)c1cc(OC)cs1 130970790 573758141 /nfs/dbraw/zinc/75/81/41/573758141.db2.gz UXPXKOMJMGUNNB-SECBINFHSA-N 0 3 197.303 2.723 10 30 AFEEHN CC1(C)CCCN(C/C=C/CS)C1 87052839 573758736 /nfs/dbraw/zinc/75/87/36/573758736.db2.gz IUZJEFJZUZOSFD-ONEGZZNKSA-N 0 3 199.363 2.594 10 30 AFEEHN CC[C@@H](C#N)CNCC(C)(C)C(C)C 258915313 573759150 /nfs/dbraw/zinc/75/91/50/573759150.db2.gz GGDVXNHPRCCIQD-NSHDSACASA-N 0 3 196.338 2.808 10 30 AFEEHN Cc1ccc([C@H]([S-])C[NH3+])c(C)c1C 259182009 573759273 /nfs/dbraw/zinc/75/92/73/573759273.db2.gz KAVCJUCWSKKAKN-LLVKDONJSA-N 0 3 195.331 2.541 10 30 AFEEHN C=C[C@H](N)c1cc(C)c(C)nc1Cl 238508128 573761745 /nfs/dbraw/zinc/76/17/45/573761745.db2.gz SEIGWTSLBRTPEE-VIFPVBQESA-N 0 3 196.681 2.538 10 30 AFEEHN C(=N/C1CC1)\c1c[nH]c2ccccc12 238089193 573764882 /nfs/dbraw/zinc/76/48/82/573764882.db2.gz JFXYPAPLBGIMAR-NTUHNPAUSA-N 0 3 184.242 2.749 10 30 AFEEHN CC(C)(C)C(C)(C)CNCS 258928538 573766006 /nfs/dbraw/zinc/76/60/06/573766006.db2.gz OMPOXNBALWJULB-UHFFFAOYSA-N 0 3 175.341 2.536 10 30 AFEEHN CC(C)CN1CCC[C@@H](C#N)C1(C)C 259179083 573771438 /nfs/dbraw/zinc/77/14/38/573771438.db2.gz BAWYXLKOPONEDC-NSHDSACASA-N 0 3 194.322 2.657 10 30 AFEEHN C=C[C@H](N)c1cc2cc(C)ccc2[nH]1 238510248 573771783 /nfs/dbraw/zinc/77/17/83/573771783.db2.gz CAGZTZRKAYAWFB-JTQLQIEISA-N 0 3 186.258 2.662 10 30 AFEEHN CC1(C)[C@@H](C#N)CCN1C1CCCC1 259567196 573771366 /nfs/dbraw/zinc/77/13/66/573771366.db2.gz YIFRWCWXTBMQQY-SNVBAGLBSA-N 0 3 192.306 2.553 10 30 AFEEHN CC(C)/N=C/c1c[nH]c2ccccc12 238108980 573777693 /nfs/dbraw/zinc/77/76/93/573777693.db2.gz LDPUCGXGMAIRQU-NTUHNPAUSA-N 0 3 186.258 2.995 10 30 AFEEHN C=C(C)CN[C@@H](CC)c1ccncc1 308741256 573785089 /nfs/dbraw/zinc/78/50/89/573785089.db2.gz OUCKVNWONLZVMJ-LBPRGKRZSA-N 0 3 190.290 2.698 10 30 AFEEHN CC[C@@H](C)N(CCC#N)CC(C)C 43419675 573788653 /nfs/dbraw/zinc/78/86/53/573788653.db2.gz HGBPLNYCYDMJEZ-LLVKDONJSA-N 0 3 182.311 2.657 10 30 AFEEHN CCC(C)(C)CNCC(C)(C)C#N 258943723 573790584 /nfs/dbraw/zinc/79/05/84/573790584.db2.gz QLTPYPGQENPGPG-UHFFFAOYSA-N 0 3 182.311 2.562 10 30 AFEEHN CC[C@H](C)N(CCC#N)CC(C)C 43419677 573790832 /nfs/dbraw/zinc/79/08/32/573790832.db2.gz HGBPLNYCYDMJEZ-NSHDSACASA-N 0 3 182.311 2.657 10 30 AFEEHN C=C(C)CN(C)CC1(C(F)F)CC1 308440274 573793193 /nfs/dbraw/zinc/79/31/93/573793193.db2.gz YSUHIUGUAFKLEE-UHFFFAOYSA-N 0 3 189.249 2.540 10 30 AFEEHN C=CCN[C@H](CCC)c1ccccn1 308749085 573798527 /nfs/dbraw/zinc/79/85/27/573798527.db2.gz SUVIGJKRXYUPDC-LLVKDONJSA-N 0 3 190.290 2.698 10 30 AFEEHN C=C(CC)C[C@H](N)c1ncccc1F 131316726 573813298 /nfs/dbraw/zinc/81/32/98/573813298.db2.gz LMAZJKFNFDPKMV-JTQLQIEISA-N 0 3 194.253 2.577 10 30 AFEEHN N#Cc1ccc2[nH]c3ccncc3c2c1 259202955 573824195 /nfs/dbraw/zinc/82/41/95/573824195.db2.gz BFMQZPVWRJSCRZ-UHFFFAOYSA-N 0 3 193.209 2.588 10 30 AFEEHN C=C(C)[C@@H](NCC)c1coc(C)c1 131400763 573828295 /nfs/dbraw/zinc/82/82/95/573828295.db2.gz IQYGOGOEHUKYDS-LLVKDONJSA-N 0 3 179.263 2.815 10 30 AFEEHN C=C[C@H](N)c1cc2ccc(C)cc2[nH]1 238526765 573828844 /nfs/dbraw/zinc/82/88/44/573828844.db2.gz MCOHXHZPSFMKQC-JTQLQIEISA-N 0 3 186.258 2.662 10 30 AFEEHN C=C[C@@H](N)c1cc2ccc(C)cc2[nH]1 238526864 573829124 /nfs/dbraw/zinc/82/91/24/573829124.db2.gz MCOHXHZPSFMKQC-SNVBAGLBSA-N 0 3 186.258 2.662 10 30 AFEEHN C=C(C)[C@H](NCC)c1coc(C)c1 131400988 573829396 /nfs/dbraw/zinc/82/93/96/573829396.db2.gz IQYGOGOEHUKYDS-NSHDSACASA-N 0 3 179.263 2.815 10 30 AFEEHN CC[C@H](C)[C@H]1CC[C@H](NCCC#N)C1 308762487 573836971 /nfs/dbraw/zinc/83/69/71/573836971.db2.gz YQLQZWCQAVRJSN-SRVKXCTJSA-N 0 3 194.322 2.704 10 30 AFEEHN CC[C@H](C)[C@@H]1CC[C@H](NCCC#N)C1 308762488 573837219 /nfs/dbraw/zinc/83/72/19/573837219.db2.gz YQLQZWCQAVRJSN-TUAOUCFPSA-N 0 3 194.322 2.704 10 30 AFEEHN C=C[C@@H]([NH3+])c1cc(C(C)C)ccc1[O-] 238158546 573841245 /nfs/dbraw/zinc/84/12/45/573841245.db2.gz JKHVVEBRDVTVGT-LLVKDONJSA-N 0 3 191.274 2.701 10 30 AFEEHN C=C[C@H]([NH3+])c1cc(C(C)C)ccc1[O-] 238158270 573841272 /nfs/dbraw/zinc/84/12/72/573841272.db2.gz JKHVVEBRDVTVGT-NSHDSACASA-N 0 3 191.274 2.701 10 30 AFEEHN CC(C)c1ncc2cccc(CC#N)n12 214981924 573842813 /nfs/dbraw/zinc/84/28/13/573842813.db2.gz IUIORASDOIMWQC-UHFFFAOYSA-N 0 3 199.257 2.524 10 30 AFEEHN CC(C)N[C@](C)(C#CCl)C(C)C 238158818 573843186 /nfs/dbraw/zinc/84/31/86/573843186.db2.gz HKLZMNHRLASLDI-SNVBAGLBSA-N 0 3 187.714 2.599 10 30 AFEEHN C=C(C)[C@H](NC)c1sccc1OC 131325323 573843214 /nfs/dbraw/zinc/84/32/14/573843214.db2.gz PCEMXPXNZRCRSL-VIFPVBQESA-N 0 3 197.303 2.593 10 30 AFEEHN CC(C)CCN1C[C@@H](C#N)CC1(C)C 259210068 573844836 /nfs/dbraw/zinc/84/48/36/573844836.db2.gz CNLIQCQXZBJCCQ-LLVKDONJSA-N 0 3 194.322 2.657 10 30 AFEEHN C=C(C)[C@@H](NC)c1sccc1OC 131325522 573845199 /nfs/dbraw/zinc/84/51/99/573845199.db2.gz PCEMXPXNZRCRSL-SECBINFHSA-N 0 3 197.303 2.593 10 30 AFEEHN CC(C)CCN1C[C@H](C#N)CC1(C)C 259210075 573848033 /nfs/dbraw/zinc/84/80/33/573848033.db2.gz CNLIQCQXZBJCCQ-NSHDSACASA-N 0 3 194.322 2.657 10 30 AFEEHN CC(C)C(C)(C)CNCC1(C#N)CC1 258973349 573852082 /nfs/dbraw/zinc/85/20/82/573852082.db2.gz TXLAYVLCQIEHLQ-UHFFFAOYSA-N 0 3 194.322 2.562 10 30 AFEEHN CCC1(CC)CCN(C[C@@H](C)C#N)C1 87254243 573855893 /nfs/dbraw/zinc/85/58/93/573855893.db2.gz SALLEWLXACEDKY-NSHDSACASA-N 0 3 194.322 2.658 10 30 AFEEHN C=C(C)[C@H](NCC)c1ccc(C)o1 131379233 573859443 /nfs/dbraw/zinc/85/94/43/573859443.db2.gz 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573878834 /nfs/dbraw/zinc/87/88/34/573878834.db2.gz SEHLXAGABUWMGQ-LLVKDONJSA-N 0 3 179.263 2.679 10 30 AFEEHN CC#CCN[C@@H]1c2ccccc2C[C@H]1C 131581115 573879960 /nfs/dbraw/zinc/87/99/60/573879960.db2.gz NSOJFCQMQBUGQS-RISCZKNCSA-N 0 3 199.297 2.533 10 30 AFEEHN CC#CCN[C@H]1c2ccccc2C[C@@H]1C 131580931 573884945 /nfs/dbraw/zinc/88/49/45/573884945.db2.gz NSOJFCQMQBUGQS-SMDDNHRTSA-N 0 3 199.297 2.533 10 30 AFEEHN CC#CCN[C@H]1CCc2c(C)cccc21 131594667 573891770 /nfs/dbraw/zinc/89/17/70/573891770.db2.gz WLUIVUBVMKTAPU-AWEZNQCLSA-N 0 3 199.297 2.595 10 30 AFEEHN Cc1cccc([C@@H](N)C(C)C)c1C#N 238180500 573892920 /nfs/dbraw/zinc/89/29/20/573892920.db2.gz MDADLOMWVSWYQU-LBPRGKRZSA-N 0 3 188.274 2.523 10 30 AFEEHN CC#CCN[C@@H]1CCc2c(C)cccc21 131594476 573893026 /nfs/dbraw/zinc/89/30/26/573893026.db2.gz WLUIVUBVMKTAPU-CQSZACIVSA-N 0 3 199.297 2.595 10 30 AFEEHN C=C[C@](C)(C(C)C)[C@H]1NC[C@@H](C)S1 238192871 573903944 /nfs/dbraw/zinc/90/39/44/573903944.db2.gz ZUGPVEQUEQGTKW-OUAUKWLOSA-N 0 3 199.363 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2.631 10 30 AFEEHN C=CC[C@@H](C)N1CCC=C(F)C1 878340592 583409424 /nfs/dbraw/zinc/40/94/24/583409424.db2.gz XNYPAODMQLNQSG-SECBINFHSA-N 0 3 169.243 2.510 10 30 AFEEHN C=CC[C@H](C)N1CCC[C@@](C)(C#N)C1 878406612 583409625 /nfs/dbraw/zinc/40/96/25/583409625.db2.gz ZKDABHFXBHQKHI-RYUDHWBXSA-N 0 3 192.306 2.577 10 30 AFEEHN C=CC[C@H](C)N1CCC[C@](C)(C#N)C1 878406611 583409539 /nfs/dbraw/zinc/40/95/39/583409539.db2.gz ZKDABHFXBHQKHI-NWDGAFQWSA-N 0 3 192.306 2.577 10 30 AFEEHN C=CC[C@@H](C)N1CCC[C@](C)(C#N)C1 878406613 583409572 /nfs/dbraw/zinc/40/95/72/583409572.db2.gz ZKDABHFXBHQKHI-VXGBXAGGSA-N 0 3 192.306 2.577 10 30 AFEEHN C=CC[C@H](C)N1CC[C@H](C)[C@H](F)C1 878382376 583409578 /nfs/dbraw/zinc/40/95/78/583409578.db2.gz AIUYZNSFXXONOR-GARJFASQSA-N 0 3 185.286 2.631 10 30 AFEEHN C=CC[C@H](C)N1CC[C@H](C)[C@@H](F)C1 878382375 583409597 /nfs/dbraw/zinc/40/95/97/583409597.db2.gz AIUYZNSFXXONOR-DCAQKATOSA-N 0 3 185.286 2.631 10 30 AFEEHN C=CC[C@H](C)N1CCC=C(F)C1 878340593 583409719 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AFEEHN C=C(C)CCN1CCC=C(Cl)C1 878790088 583414816 /nfs/dbraw/zinc/41/48/16/583414816.db2.gz DQMINYYKKXUXJX-UHFFFAOYSA-N 0 3 185.698 2.781 10 30 AFEEHN C=CCN1CCc2ccsc2[C@@H]1C 880378415 583430767 /nfs/dbraw/zinc/43/07/67/583430767.db2.gz UAKQUUALNIBIQZ-VIFPVBQESA-N 0 3 193.315 2.853 10 30 AFEEHN C=CCN1CCc2ccsc2[C@H]1C 880378405 583431026 /nfs/dbraw/zinc/43/10/26/583431026.db2.gz UAKQUUALNIBIQZ-SECBINFHSA-N 0 3 193.315 2.853 10 30 AFEEHN C#CCN1C[C@@H]2CC[C@H]1c1ccccc12 880540417 583437214 /nfs/dbraw/zinc/43/72/14/583437214.db2.gz ZNXPAHDMMZSICP-FZMZJTMJSA-N 0 3 197.281 2.554 10 30 AFEEHN C#CCN(CC)[C@H](C)c1ccccc1 137223764 583493275 /nfs/dbraw/zinc/49/32/75/583493275.db2.gz CBYLYDKOZZUSIB-GFCCVEGCSA-N 0 3 187.286 2.703 10 30 AFEEHN CC[C@H](CC#N)N[C@@H]1C[C@H]1C(C)(C)C 886240792 583494160 /nfs/dbraw/zinc/49/41/60/583494160.db2.gz DSGUZFIWZKJRFD-GMTAPVOTSA-N 0 3 194.322 2.703 10 30 AFEEHN C=CCC[C@H](C)NCc1cscn1 126808221 490039138 /nfs/dbraw/zinc/03/91/38/490039138.db2.gz 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/nfs/dbraw/zinc/03/38/55/491033855.db2.gz FWLUEFJUBQZWPG-NSHDSACASA-N 0 3 175.275 2.659 10 30 AFEEHN C=C1CCN(CC(=C)CC)CC1 306161193 491046140 /nfs/dbraw/zinc/04/61/40/491046140.db2.gz GGULAPQIKKJWBL-UHFFFAOYSA-N 0 3 165.280 2.605 10 30 AFEEHN C=C(CC)CN1CC[C@@H](C)[C@H](F)C1 306419785 491050550 /nfs/dbraw/zinc/05/05/50/491050550.db2.gz XYFXWMXDWOVYCF-GHMZBOCLSA-N 0 3 185.286 2.633 10 30 AFEEHN C=C(CC)CN1CC[C@H](C)[C@@H](F)C1 306419791 491050598 /nfs/dbraw/zinc/05/05/98/491050598.db2.gz XYFXWMXDWOVYCF-QWRGUYRKSA-N 0 3 185.286 2.633 10 30 AFEEHN C=C(CC)CN1CC[C@H](C)[C@H](F)C1 306419794 491050609 /nfs/dbraw/zinc/05/06/09/491050609.db2.gz XYFXWMXDWOVYCF-WDEREUQCSA-N 0 3 185.286 2.633 10 30 AFEEHN C=C(CC)CN1CC[C@@H](C)[C@@H](F)C1 306419788 491050744 /nfs/dbraw/zinc/05/07/44/491050744.db2.gz XYFXWMXDWOVYCF-MNOVXSKESA-N 0 3 185.286 2.633 10 30 AFEEHN C=C(CC)CN1CCC(F)(F)CC1 307526704 491063332 /nfs/dbraw/zinc/06/33/32/491063332.db2.gz FJWXCEPWTAEHSX-UHFFFAOYSA-N 0 3 189.249 2.684 10 30 AFEEHN C=CCN1CC=C(C(C)(C)C)CC1 307748849 491070004 /nfs/dbraw/zinc/07/00/04/491070004.db2.gz DKHSALZHQNUJSC-UHFFFAOYSA-N 0 3 179.307 2.851 10 30 AFEEHN C=C[C@H](C)NCc1csc(C)c1 308127460 491078981 /nfs/dbraw/zinc/07/89/81/491078981.db2.gz VXXFZWLDKYHEBB-QMMMGPOBSA-N 0 3 181.304 2.721 10 30 AFEEHN C=C[C@@H](C)NCc1csc(C)c1 308127459 491079024 /nfs/dbraw/zinc/07/90/24/491079024.db2.gz VXXFZWLDKYHEBB-MRVPVSSYSA-N 0 3 181.304 2.721 10 30 AFEEHN C=CCCCN[C@H](C)c1cscn1 308173004 491082552 /nfs/dbraw/zinc/08/25/52/491082552.db2.gz DGRFEHNUISTJGW-SECBINFHSA-N 0 3 196.319 2.760 10 30 AFEEHN C=CCCCN[C@@H](C)c1cscn1 308173005 491082590 /nfs/dbraw/zinc/08/25/90/491082590.db2.gz DGRFEHNUISTJGW-VIFPVBQESA-N 0 3 196.319 2.760 10 30 AFEEHN C=CC[C@H](CC)NCc1ccco1 308173342 491082626 /nfs/dbraw/zinc/08/26/26/491082626.db2.gz CHJWYGKVCWRILQ-JTQLQIEISA-N 0 3 179.263 2.724 10 30 AFEEHN C=CC[C@@H](CC)NCc1ccco1 308173581 491082730 /nfs/dbraw/zinc/08/27/30/491082730.db2.gz CHJWYGKVCWRILQ-SNVBAGLBSA-N 0 3 179.263 2.724 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