smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCc1ccc(Cn2cc[nH+]c2)cc1 79512699 537875084 /nfs/dbraw/zinc/87/50/84/537875084.db2.gz JKXYOZAZKQMWIS-UHFFFAOYSA-N 1 2 198.269 2.660 10 30 AFEELO C=C(C)CC[N@H+](CC(F)F)C1CC1 379379599 538373184 /nfs/dbraw/zinc/37/31/84/538373184.db2.gz BCNDOXILHXJGNQ-UHFFFAOYSA-N 1 2 189.249 2.682 10 30 AFEELO C=C(C)CC[N@@H+](CC(F)F)C1CC1 379379599 538373191 /nfs/dbraw/zinc/37/31/91/538373191.db2.gz BCNDOXILHXJGNQ-UHFFFAOYSA-N 1 2 189.249 2.682 10 30 AFEELO C=CCc1cccc(-c2[nH]cc[nH+]2)c1 667946056 538442121 /nfs/dbraw/zinc/44/21/21/538442121.db2.gz HWJNEVJYMDICIA-UHFFFAOYSA-N 1 2 184.242 2.805 10 30 AFEELO C=CCc1cccc(Cn2cc[nH+]c2)c1 667946084 538442058 /nfs/dbraw/zinc/44/20/58/538442058.db2.gz VUVUNGHQJLAJAY-UHFFFAOYSA-N 1 2 198.269 2.660 10 30 AFEELO Cc1ccc([C@H](C)[NH2+][C@H](C)CC#N)o1 38097782 571715996 /nfs/dbraw/zinc/71/59/96/571715996.db2.gz WEFYAKZQKNGFNU-SCZZXKLOSA-N 1 2 192.262 2.541 10 30 AFEELO CCCC[C@](C#N)(CC)[NH2+]C(C)C 68988478 572012549 /nfs/dbraw/zinc/01/25/49/572012549.db2.gz SIZDBPXIXSGBQP-NSHDSACASA-N 1 2 182.311 2.847 10 30 AFEELO CC[C@H](C)[NH2+][C@@H](C#N)[C@H](C)CC(C)C 300834745 571979874 /nfs/dbraw/zinc/97/98/74/571979874.db2.gz CLIVQHHBDMXKER-WOPDTQHZSA-N 1 2 196.338 2.949 10 30 AFEELO CC[C@H](C#N)[NH2+][C@@H](C)CCC(C)C 68944636 572003805 /nfs/dbraw/zinc/00/38/05/572003805.db2.gz ZEIGKSOMILQWNI-WDEREUQCSA-N 1 2 182.311 2.703 10 30 AFEELO CCCC[C@](C#N)(CC)[NH2+]CC1CC1 68988579 572012620 /nfs/dbraw/zinc/01/26/20/572012620.db2.gz LWAMNJRCLDGAIS-LBPRGKRZSA-N 1 2 194.322 2.849 10 30 AFEELO CC(C)C[C@H](C)C[N@H+](CC#N)C(C)C 300919014 572048475 /nfs/dbraw/zinc/04/84/75/572048475.db2.gz MRNPQYYJDKDICR-LBPRGKRZSA-N 1 2 196.338 2.903 10 30 AFEELO CC(C)C[C@H](C)C[N@@H+](CC#N)C(C)C 300919014 572048478 /nfs/dbraw/zinc/04/84/78/572048478.db2.gz MRNPQYYJDKDICR-LBPRGKRZSA-N 1 2 196.338 2.903 10 30 AFEELO CCC[NH2+][C@@]1(C#N)CCC[C@H](C)[C@@H]1C 82860167 572156735 /nfs/dbraw/zinc/15/67/35/572156735.db2.gz OZNSAZLXFBVHKW-SDDRHHMPSA-N 1 2 194.322 2.704 10 30 AFEELO CCC[NH2+][C@H](C#N)[C@@H](C)CC(C)C 300925686 572069280 /nfs/dbraw/zinc/06/92/80/572069280.db2.gz NHFSFYXJMUHUOB-WDEREUQCSA-N 1 2 182.311 2.560 10 30 AFEELO CCC[NH2+][C@@H](C#N)[C@@H](C)CC(C)C 300925685 572069322 /nfs/dbraw/zinc/06/93/22/572069322.db2.gz NHFSFYXJMUHUOB-QWRGUYRKSA-N 1 2 182.311 2.560 10 30 AFEELO CC(C)C[C@H](C)[C@@H](C#N)[NH2+]CC1CC1 300932524 572085264 /nfs/dbraw/zinc/08/52/64/572085264.db2.gz NWRVZJMYHMODDV-CMPLNLGQSA-N 1 2 194.322 2.560 10 30 AFEELO C=CCC[C@H]([NH2+]N)[C@H](C)CCCC 300935625 572103340 /nfs/dbraw/zinc/10/33/40/572103340.db2.gz NBQLWPYDXGBEIV-MNOVXSKESA-N 1 2 184.327 2.611 10 30 AFEELO CC[C@@H](CC#N)[NH2+][C@@H](C)c1ccoc1 87290180 572414598 /nfs/dbraw/zinc/41/45/98/572414598.db2.gz BQWOKUFMYFEKMP-ONGXEEELSA-N 1 2 192.262 2.622 10 30 AFEELO CC[C@H]1CCCC[C@@]1(C#N)[NH2+]C1CC1 70568453 572706552 /nfs/dbraw/zinc/70/65/52/572706552.db2.gz DZVMSUUWOILPOM-JQWIXIFHSA-N 1 2 192.306 2.601 10 30 AFEELO CC[C@@H]1CCCC[C@]1(C#N)[NH2+]C1CC1 70568454 572706588 /nfs/dbraw/zinc/70/65/88/572706588.db2.gz DZVMSUUWOILPOM-ZYHUDNBSSA-N 1 2 192.306 2.601 10 30 AFEELO CC[NH2+][C@@]1(C#N)CCC[C@H](CC)CC1 83436063 573504794 /nfs/dbraw/zinc/50/47/94/573504794.db2.gz XBWIBCYBMDQZIR-RYUDHWBXSA-N 1 2 194.322 2.849 10 30 AFEELO CC(C)[C@H](C)C[C@@H](C#N)[NH+]1CCCC1 75597196 572895545 /nfs/dbraw/zinc/89/55/45/572895545.db2.gz GRIIICNKRZJFRH-NEPJUHHUSA-N 1 2 194.322 2.657 10 30 AFEELO CC(C)[C@H](C)C[C@H](C#N)[NH+]1CCCC1 75597204 572895592 /nfs/dbraw/zinc/89/55/92/572895592.db2.gz GRIIICNKRZJFRH-VXGBXAGGSA-N 1 2 194.322 2.657 10 30 AFEELO CCCC[C@H](C)[N@H+](C)[C@H](C#N)CC 308208058 572946907 /nfs/dbraw/zinc/94/69/07/572946907.db2.gz UYYUHCCZTFTJGG-QWRGUYRKSA-N 1 2 182.311 2.799 10 30 AFEELO CCCC[C@H](C)[N@@H+](C)[C@H](C#N)CC 308208058 572946908 /nfs/dbraw/zinc/94/69/08/572946908.db2.gz UYYUHCCZTFTJGG-QWRGUYRKSA-N 1 2 182.311 2.799 10 30 AFEELO C=C/C=C/CC[C@@]1(C#N)CCCC[NH2+]1 713665140 572974799 /nfs/dbraw/zinc/97/47/99/572974799.db2.gz QMCVSUYSTOAASR-PCAWENJQSA-N 1 2 190.290 2.545 10 30 AFEELO CC(C)=[NH+][C@@H](CCO)c1ccccc1 308487928 573061393 /nfs/dbraw/zinc/06/13/93/573061393.db2.gz NQLCWRILSIBSPN-LBPRGKRZSA-N 1 2 191.274 2.591 10 30 AFEELO C=C(C)CN(C)c1cc(F)cc(C)[nH+]1 1120914788 757821575 /nfs/dbraw/zinc/82/15/75/757821575.db2.gz VIUUGLOHIHLGNA-UHFFFAOYSA-N 1 2 194.253 2.541 10 30 AFEELO C=CCC[C@](C)(C#N)[NH2+][C@@H](C)CC 132083637 573205062 /nfs/dbraw/zinc/20/50/62/573205062.db2.gz UVSVYMIKENDIHU-WDEREUQCSA-N 1 2 180.295 2.623 10 30 AFEELO C=CCC[C@](C)(C#N)[NH2+][C@H](C)CC 132083446 573205253 /nfs/dbraw/zinc/20/52/53/573205253.db2.gz UVSVYMIKENDIHU-GHMZBOCLSA-N 1 2 180.295 2.623 10 30 AFEELO CC(C)[NH2+]C1(C#N)C[C@@H](C)C[C@H](C)C1 82831060 573218380 /nfs/dbraw/zinc/21/83/80/573218380.db2.gz QKFRUYFMDSIXGY-QWRGUYRKSA-N 1 2 194.322 2.703 10 30 AFEELO CC[C@H](C#N)[NH2+]C1C[C@@H](C)C[C@H](C)C1 82835056 573219195 /nfs/dbraw/zinc/21/91/95/573219195.db2.gz YBFSKBBAZKZBRE-GARJFASQSA-N 1 2 194.322 2.703 10 30 AFEELO CC[N@H+](CC#N)C1C[C@@H](C)C[C@H](C)C1 82832728 573219272 /nfs/dbraw/zinc/21/92/72/573219272.db2.gz MZGCMFNIOXORFZ-QWRGUYRKSA-N 1 2 194.322 2.657 10 30 AFEELO CC[N@@H+](CC#N)C1C[C@@H](C)C[C@H](C)C1 82832728 573219276 /nfs/dbraw/zinc/21/92/76/573219276.db2.gz MZGCMFNIOXORFZ-QWRGUYRKSA-N 1 2 194.322 2.657 10 30 AFEELO CC(C)[NH2+]C1(C#N)C[C@H](C)C[C@@H](C)C1 82831061 573220549 /nfs/dbraw/zinc/22/05/49/573220549.db2.gz QKFRUYFMDSIXGY-GHMZBOCLSA-N 1 2 194.322 2.703 10 30 AFEELO C=CCC[C@@H]([NH2+]CCC)C(F)(F)F 129067729 573220945 /nfs/dbraw/zinc/22/09/45/573220945.db2.gz JIRQVFXHEBNGTN-MRVPVSSYSA-N 1 2 195.228 2.883 10 30 AFEELO C=C[C@H](C)Nc1ccc([NH+](C)C)cc1 235550001 573224079 /nfs/dbraw/zinc/22/40/79/573224079.db2.gz VZDIPGPEHQUYNR-JTQLQIEISA-N 1 2 190.290 2.739 10 30 AFEELO CCC[NH2+][C@]1(C#N)CC[C@H](C)[C@H](C)C1 82838025 573227929 /nfs/dbraw/zinc/22/79/29/573227929.db2.gz ODSREPFZQCBERX-QJPTWQEYSA-N 1 2 194.322 2.704 10 30 AFEELO Cc1cc([C@@H](S)[NH+](C)C)ccc1F 259388815 573235398 /nfs/dbraw/zinc/23/53/98/573235398.db2.gz GWLOADYPEFXXSX-SNVBAGLBSA-N 1 2 199.294 2.624 10 30 AFEELO CC(C)[NH2+][C@@]1(C#N)C[C@H](C)CC[C@H]1C 82860188 573239210 /nfs/dbraw/zinc/23/92/10/573239210.db2.gz GCFMAHGLQCOIHF-IJLUTSLNSA-N 1 2 194.322 2.703 10 30 AFEELO CC(C)[NH2+][C@]1(C#N)CCC[C@@H](C)[C@H]1C 82860178 573240528 /nfs/dbraw/zinc/24/05/28/573240528.db2.gz VQXRGWUGPGDHKU-UTUOFQBUSA-N 1 2 194.322 2.703 10 30 AFEELO CC(C)[NH2+][C@@]1(C#N)C[C@H](C)CC[C@@H]1C 82860186 573240538 /nfs/dbraw/zinc/24/05/38/573240538.db2.gz GCFMAHGLQCOIHF-GRYCIOLGSA-N 1 2 194.322 2.703 10 30 AFEELO CCC[NH2+][C@]1(C#N)CCC[C@H](C)[C@@H]1C 82860166 573240781 /nfs/dbraw/zinc/24/07/81/573240781.db2.gz OZNSAZLXFBVHKW-SRVKXCTJSA-N 1 2 194.322 2.704 10 30 AFEELO CC(C)[NH2+][C@@]1(C#N)CC[C@@H](C)C[C@H]1C 82860184 573240850 /nfs/dbraw/zinc/24/08/50/573240850.db2.gz ZMUASIFGBQYATC-IJLUTSLNSA-N 1 2 194.322 2.703 10 30 AFEELO CC(C)[NH2+][C@]1(C#N)CCC[C@H](C)[C@H]1C 82860179 573240926 /nfs/dbraw/zinc/24/09/26/573240926.db2.gz VQXRGWUGPGDHKU-TUAOUCFPSA-N 1 2 194.322 2.703 10 30 AFEELO CCC[NH2+][C@]1(C#N)C[C@@H](C)CC[C@@H]1C 82860176 573240989 /nfs/dbraw/zinc/24/09/89/573240989.db2.gz MGNLEEZEXFDCRA-SRVKXCTJSA-N 1 2 194.322 2.704 10 30 AFEELO CCC[NH2+][C@]1(C#N)C[C@H](C)CC[C@@H]1C 82860174 573241558 /nfs/dbraw/zinc/24/15/58/573241558.db2.gz MGNLEEZEXFDCRA-WOPDTQHZSA-N 1 2 194.322 2.704 10 30 AFEELO CCC[NH2+][C@]1(C#N)CCC[C@@H](C)[C@@H]1C 82860168 573242028 /nfs/dbraw/zinc/24/20/28/573242028.db2.gz OZNSAZLXFBVHKW-WOPDTQHZSA-N 1 2 194.322 2.704 10 30 AFEELO CC(C)[C@@H](C)[C@@H](C#N)[NH2+]C1CCCC1 308521671 573242153 /nfs/dbraw/zinc/24/21/53/573242153.db2.gz SXKGMIHUZRHJAD-ZYHUDNBSSA-N 1 2 194.322 2.703 10 30 AFEELO CCC[NH2+][C@]1(C#N)CC[C@H](C)C[C@@H]1C 82860170 573242235 /nfs/dbraw/zinc/24/22/35/573242235.db2.gz WFGCVEBJNBGICR-SRVKXCTJSA-N 1 2 194.322 2.704 10 30 AFEELO CCc1ccc([C@@H](S)[NH+](C)C)cc1 259389091 573242554 /nfs/dbraw/zinc/24/25/54/573242554.db2.gz GYRVBQUBQRZCDE-LLVKDONJSA-N 1 2 195.331 2.739 10 30 AFEELO CC(C)[C@@H](C)[C@H](C#N)[NH2+]C1CCCC1 308521670 573242926 /nfs/dbraw/zinc/24/29/26/573242926.db2.gz SXKGMIHUZRHJAD-PWSUYJOCSA-N 1 2 194.322 2.703 10 30 AFEELO CC(C)[C@H](C)[C@@H](C#N)[NH2+]C1CCCC1 308521668 573243833 /nfs/dbraw/zinc/24/38/33/573243833.db2.gz SXKGMIHUZRHJAD-CMPLNLGQSA-N 1 2 194.322 2.703 10 30 AFEELO CC[C@@H](C#N)[N@H+](C)CCCC(C)C 308321842 573246729 /nfs/dbraw/zinc/24/67/29/573246729.db2.gz ZDRVAUKYOYSESW-NSHDSACASA-N 1 2 182.311 2.657 10 30 AFEELO CC[C@@H](C#N)[N@@H+](C)CCCC(C)C 308321842 573246735 /nfs/dbraw/zinc/24/67/35/573246735.db2.gz ZDRVAUKYOYSESW-NSHDSACASA-N 1 2 182.311 2.657 10 30 AFEELO C=CC[C@H](C)[C@@H]([NH2+]N)C(C)(CC)CC 715750581 573270931 /nfs/dbraw/zinc/27/09/31/573270931.db2.gz VLCLABRCFXGCRC-WDEREUQCSA-N 1 2 198.354 2.857 10 30 AFEELO CCC1([C@@H](C#N)[NH2+]CC(C)C)CCC1 686134448 573297069 /nfs/dbraw/zinc/29/70/69/573297069.db2.gz TVDNEHYMWXNWFZ-LLVKDONJSA-N 1 2 194.322 2.704 10 30 AFEELO CC/C=C/CC[N@H+](CC#N)C(C)C 308369326 573365764 /nfs/dbraw/zinc/36/57/64/573365764.db2.gz PNFPVZALPIJKFP-AATRIKPKSA-N 1 2 180.295 2.577 10 30 AFEELO CC/C=C/CC[N@@H+](CC#N)C(C)C 308369326 573365770 /nfs/dbraw/zinc/36/57/70/573365770.db2.gz PNFPVZALPIJKFP-AATRIKPKSA-N 1 2 180.295 2.577 10 30 AFEELO CC/C=C\CC[N@H+](CC#N)C(C)C 308369327 573365870 /nfs/dbraw/zinc/36/58/70/573365870.db2.gz PNFPVZALPIJKFP-WAYWQWQTSA-N 1 2 180.295 2.577 10 30 AFEELO CC/C=C\CC[N@@H+](CC#N)C(C)C 308369327 573365874 /nfs/dbraw/zinc/36/58/74/573365874.db2.gz PNFPVZALPIJKFP-WAYWQWQTSA-N 1 2 180.295 2.577 10 30 AFEELO CCC(CC)C[C@]1(C#N)CCCC[NH2+]1 308570444 573396092 /nfs/dbraw/zinc/39/60/92/573396092.db2.gz BUEFQPPDOWSWOO-LBPRGKRZSA-N 1 2 194.322 2.849 10 30 AFEELO CC(C)[C@H](C#N)c1[nH+]cc2ccccn12 259449104 573437098 /nfs/dbraw/zinc/43/70/98/573437098.db2.gz KHRRIAGONKIPRE-NSHDSACASA-N 1 2 199.257 2.597 10 30 AFEELO C[C@@H]([C@H](C#N)[NH2+]CC1CC1)C(C)(C)C 308591469 573454532 /nfs/dbraw/zinc/45/45/32/573454532.db2.gz PCSPJISJSBOCRE-ONGXEEELSA-N 1 2 194.322 2.560 10 30 AFEELO Cc1ccc([C@H](C)[NH2+][C@@H](C)CC#N)o1 38097780 571716974 /nfs/dbraw/zinc/71/69/74/571716974.db2.gz WEFYAKZQKNGFNU-WPRPVWTQSA-N 1 2 192.262 2.541 10 30 AFEELO C[C@H]([C@@H](C#N)[NH2+]CC1CC1)C(C)(C)C 308591468 573455287 /nfs/dbraw/zinc/45/52/87/573455287.db2.gz PCSPJISJSBOCRE-MWLCHTKSSA-N 1 2 194.322 2.560 10 30 AFEELO CCCCCC[C@H](C#N)[NH2+]C1CCC1 712357390 571745794 /nfs/dbraw/zinc/74/57/94/571745794.db2.gz YYUVXGFELRRAPT-GFCCVEGCSA-N 1 2 194.322 2.991 10 30 AFEELO CC[C@H](C)[NH2+][C@@H](C#N)[C@@H](C)CC(C)C 300834744 571978141 /nfs/dbraw/zinc/97/81/41/571978141.db2.gz CLIVQHHBDMXKER-SRVKXCTJSA-N 1 2 196.338 2.949 10 30 AFEELO C=C(CC)C[C@H]([NH2+]N)[C@@H]1CCC[C@H]1C 300236252 572015375 /nfs/dbraw/zinc/01/53/75/572015375.db2.gz UKEQFMDAGJOUSH-UTUOFQBUSA-N 1 2 196.338 2.611 10 30 AFEELO C=C(C)CC[C@H]([NH2+]N)[C@@H]1CCC[C@H]1C 300237586 572018430 /nfs/dbraw/zinc/01/84/30/572018430.db2.gz ZEKGAIRNOPKSFR-UTUOFQBUSA-N 1 2 196.338 2.611 10 30 AFEELO C=C(C)CC[C@H]([NH2+]N)[C@H]1CCC[C@H]1C 300237587 572018473 /nfs/dbraw/zinc/01/84/73/572018473.db2.gz ZEKGAIRNOPKSFR-WOPDTQHZSA-N 1 2 196.338 2.611 10 30 AFEELO CC(C)C[C@@H](C)[C@@H](C#N)[NH2+]C(C)C 300910251 572041437 /nfs/dbraw/zinc/04/14/37/572041437.db2.gz LTQQFFZYYIELBH-GHMZBOCLSA-N 1 2 182.311 2.559 10 30 AFEELO C[C@@H](C#N)[N@H+](C)CCCC(C)(C)C 300914104 572041518 /nfs/dbraw/zinc/04/15/18/572041518.db2.gz SKUJNYGKHUWLKW-JTQLQIEISA-N 1 2 182.311 2.657 10 30 AFEELO C[C@@H](C#N)[N@@H+](C)CCCC(C)(C)C 300914104 572041521 /nfs/dbraw/zinc/04/15/21/572041521.db2.gz SKUJNYGKHUWLKW-JTQLQIEISA-N 1 2 182.311 2.657 10 30 AFEELO CCCCCCCCC[NH2+]N(C)C 214907269 572089635 /nfs/dbraw/zinc/08/96/35/572089635.db2.gz KCULIBOQBGGNGP-UHFFFAOYSA-N 1 2 186.343 2.803 10 30 AFEELO CC(C)[NH2+][C@]1(C#N)CCC[C@@H](C)CC1 83428316 573498257 /nfs/dbraw/zinc/49/82/57/573498257.db2.gz VTCQRRPOCMVGFL-VXGBXAGGSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@@H]1CCC[C@](C#N)([NH+](C)C)CC1 83436606 573506062 /nfs/dbraw/zinc/50/60/62/573506062.db2.gz QSGCSVJSDCFANV-NEPJUHHUSA-N 1 2 194.322 2.801 10 30 AFEELO CCC[C@@H]1CCC[C@@](C#N)([NH2+]C)CC1 83437750 573506234 /nfs/dbraw/zinc/50/62/34/573506234.db2.gz BSFMHMAZWYLCBC-VXGBXAGGSA-N 1 2 194.322 2.849 10 30 AFEELO C[NH+](C)[C@@]1(C#N)CCCC(C)(C)CC1 83436603 573506453 /nfs/dbraw/zinc/50/64/53/573506453.db2.gz ICYFKQDWGANXKC-LBPRGKRZSA-N 1 2 194.322 2.801 10 30 AFEELO CCC1(CC)CC[NH+]([C@H](C)C#N)CC1 62953812 572521745 /nfs/dbraw/zinc/52/17/45/572521745.db2.gz OSACNSNWJMCNCW-LLVKDONJSA-N 1 2 194.322 2.801 10 30 AFEELO CCC[NH2+][C@H](C#N)C1CCC(C)CC1 84339560 572538087 /nfs/dbraw/zinc/53/80/87/572538087.db2.gz SYCJQBGZDGAHGD-HTAVTVPLSA-N 1 2 194.322 2.704 10 30 AFEELO CC[C@H](C)[NH2+][C@@H](C#N)[C@H](C)C(C)(C)C 308606724 573523555 /nfs/dbraw/zinc/52/35/55/573523555.db2.gz WTWMAGZRZJCQNO-DCAQKATOSA-N 1 2 196.338 2.949 10 30 AFEELO C[C@@H](C#N)[N@@H+]1CC[C@H](CC(C)(C)C)C1 306286194 573536414 /nfs/dbraw/zinc/53/64/14/573536414.db2.gz DHQKCJUHHKGRJE-WDEREUQCSA-N 1 2 194.322 2.657 10 30 AFEELO C[C@@H](C#N)[N@H+]1CC[C@H](CC(C)(C)C)C1 306286194 573536419 /nfs/dbraw/zinc/53/64/19/573536419.db2.gz DHQKCJUHHKGRJE-WDEREUQCSA-N 1 2 194.322 2.657 10 30 AFEELO C=C/C=C\CC[C@@]1(C#N)CCCC[NH2+]1 713665136 572974927 /nfs/dbraw/zinc/97/49/27/572974927.db2.gz QMCVSUYSTOAASR-MVZIDQBPSA-N 1 2 190.290 2.545 10 30 AFEELO CC[C@H](C#N)[NH2+]C[C@H](CC)C(C)C 308223866 573014205 /nfs/dbraw/zinc/01/42/05/573014205.db2.gz MHEHXYRTNZBPLR-WDEREUQCSA-N 1 2 182.311 2.560 10 30 AFEELO CC[C@H](C[NH2+][C@@H](C#N)CC)C(C)C 308223860 573014217 /nfs/dbraw/zinc/01/42/17/573014217.db2.gz MHEHXYRTNZBPLR-GHMZBOCLSA-N 1 2 182.311 2.560 10 30 AFEELO CC(C)=[NH+][C@H](CCO)c1ccccc1 308487927 573057863 /nfs/dbraw/zinc/05/78/63/573057863.db2.gz NQLCWRILSIBSPN-GFCCVEGCSA-N 1 2 191.274 2.591 10 30 AFEELO CC[C@H](C#N)c1ccc2[nH+]c(C)[nH]c2c1 258562906 573170242 /nfs/dbraw/zinc/17/02/42/573170242.db2.gz JFNVDEQJPAQDTQ-SECBINFHSA-N 1 2 199.257 2.889 10 30 AFEELO CC[C@H](C#N)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 82846293 573228949 /nfs/dbraw/zinc/22/89/49/573228949.db2.gz MXGRFGHTQUZAOM-IRCOFANPSA-N 1 2 194.322 2.703 10 30 AFEELO CCc1ccc([C@H](S)[NH+](C)C)cc1 259389093 573244530 /nfs/dbraw/zinc/24/45/30/573244530.db2.gz GYRVBQUBQRZCDE-NSHDSACASA-N 1 2 195.331 2.739 10 30 AFEELO C=CCCC[NH2+]c1ccc(C)c(N)c1 308564216 573368613 /nfs/dbraw/zinc/36/86/13/573368613.db2.gz XQIALWXIKGYUMB-UHFFFAOYSA-N 1 2 190.290 2.955 10 30 AFEELO N#C[C@]1(CCCCCF)CCCC[NH2+]1 308586252 573445364 /nfs/dbraw/zinc/44/53/64/573445364.db2.gz IMIMKYXHTNOPMQ-NSHDSACASA-N 1 2 198.285 2.552 10 30 AFEELO CCC(CC)[C@@H](C)[NH2+]C(C)(C)C#N 308391820 573472355 /nfs/dbraw/zinc/47/23/55/573472355.db2.gz ZZFKQNVVDKUMDX-SECBINFHSA-N 1 2 182.311 2.703 10 30 AFEELO C[C@@H]1CCC[C@@]1(C#N)[NH2+]C1CCCC1 83393380 573480635 /nfs/dbraw/zinc/48/06/35/573480635.db2.gz YYSDKUIOESIORS-PWSUYJOCSA-N 1 2 192.306 2.601 10 30 AFEELO CC[NH2+][C@]1(C#N)CCC[C@@H](CC)CC1 83436060 573503050 /nfs/dbraw/zinc/50/30/50/573503050.db2.gz XBWIBCYBMDQZIR-VXGBXAGGSA-N 1 2 194.322 2.849 10 30 AFEELO CC[C@@H]1CCC[C@@](C#N)([NH+](C)C)CC1 83436604 573503352 /nfs/dbraw/zinc/50/33/52/573503352.db2.gz QSGCSVJSDCFANV-VXGBXAGGSA-N 1 2 194.322 2.801 10 30 AFEELO C[NH2+][C@]1(C#N)CCC[C@H](C(C)C)CC1 83437755 573503506 /nfs/dbraw/zinc/50/35/06/573503506.db2.gz SCKUCDAVCPVKBQ-NWDGAFQWSA-N 1 2 194.322 2.704 10 30 AFEELO CC[C@H]1CCC[C@@](C#N)([NH+](C)C)CC1 83436605 573505154 /nfs/dbraw/zinc/50/51/54/573505154.db2.gz QSGCSVJSDCFANV-NWDGAFQWSA-N 1 2 194.322 2.801 10 30 AFEELO CC[C@H](C)[NH2+][C@@H](C#N)[C@@H](C)C(C)(C)C 308606721 573522618 /nfs/dbraw/zinc/52/26/18/573522618.db2.gz WTWMAGZRZJCQNO-AXFHLTTASA-N 1 2 196.338 2.949 10 30 AFEELO CC[C@H](C)[NH2+][C@H](C#N)[C@H](C)C(C)(C)C 308606727 573527073 /nfs/dbraw/zinc/52/70/73/573527073.db2.gz WTWMAGZRZJCQNO-GARJFASQSA-N 1 2 196.338 2.949 10 30 AFEELO C[C@@H]([NH2+]CC#N)[C@H](C)C1CCCCC1 308642697 573616443 /nfs/dbraw/zinc/61/64/43/573616443.db2.gz FPQGGFXUZXWZKW-WDEREUQCSA-N 1 2 194.322 2.704 10 30 AFEELO C[C@H]([NH2+]CC#N)[C@H](C)C1CCCCC1 308642695 573616895 /nfs/dbraw/zinc/61/68/95/573616895.db2.gz FPQGGFXUZXWZKW-QWRGUYRKSA-N 1 2 194.322 2.704 10 30 AFEELO C[C@@H](C#N)[N@H+](C)CCC1CCCCC1 258829939 573649135 /nfs/dbraw/zinc/64/91/35/573649135.db2.gz PYVHTLXSSBTWOW-NSHDSACASA-N 1 2 194.322 2.801 10 30 AFEELO C[C@@H](C#N)[N@@H+](C)CCC1CCCCC1 258829939 573649140 /nfs/dbraw/zinc/64/91/40/573649140.db2.gz PYVHTLXSSBTWOW-NSHDSACASA-N 1 2 194.322 2.801 10 30 AFEELO CC(C)CC(C)(C)C[NH2+][C@@H](C)C#N 258837185 573652072 /nfs/dbraw/zinc/65/20/72/573652072.db2.gz QOADQRJJKCTIQO-JTQLQIEISA-N 1 2 182.311 2.560 10 30 AFEELO CC[C@H](C)[NH2+][C@]1(C#N)CCCC1(C)C 86866066 573658205 /nfs/dbraw/zinc/65/82/05/573658205.db2.gz VRILWAHNSXCLJV-JQWIXIFHSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@@H](C)[NH2+][C@]1(C#N)CCCC1(C)C 86866065 573659531 /nfs/dbraw/zinc/65/95/31/573659531.db2.gz VRILWAHNSXCLJV-PWSUYJOCSA-N 1 2 194.322 2.847 10 30 AFEELO Cc1[nH+]cc(CC#N)c(C)c1C(F)F 238467943 573675804 /nfs/dbraw/zinc/67/58/04/573675804.db2.gz SPYAIIQCQCRKOC-UHFFFAOYSA-N 1 2 196.200 2.702 10 30 AFEELO Cc1cc(CC#N)[nH+]c(C)c1C1CC1 238470890 573686046 /nfs/dbraw/zinc/68/60/46/573686046.db2.gz GMCWMXUASGAJPA-UHFFFAOYSA-N 1 2 186.258 2.642 10 30 AFEELO C#CCCCc1[nH]c2ccccc2[nH+]1 238000028 573702358 /nfs/dbraw/zinc/70/23/58/573702358.db2.gz JHYWCSRHFVVNAG-UHFFFAOYSA-N 1 2 184.242 2.519 10 30 AFEELO Cc1ccsc1[C@H](CC#N)[NH+](C)C 259559727 573711363 /nfs/dbraw/zinc/71/13/63/573711363.db2.gz ORUIMAYKVQJCGM-VIFPVBQESA-N 1 2 194.303 2.573 10 30 AFEELO CC[C@H](C#N)[NH2+]CC1(CC(C)C)CC1 308746471 573801247 /nfs/dbraw/zinc/80/12/47/573801247.db2.gz RIMUGCSMFKAJMF-LLVKDONJSA-N 1 2 194.322 2.704 10 30 AFEELO CCC(CC)[C@H](C#N)[NH+](CC)CC 41049894 573822483 /nfs/dbraw/zinc/82/24/83/573822483.db2.gz RVFQVZRSLITOOC-NSHDSACASA-N 1 2 182.311 2.657 10 30 AFEELO CCC(CC)[C@@H](C#N)[NH+](CC)CC 41049893 573822622 /nfs/dbraw/zinc/82/26/22/573822622.db2.gz RVFQVZRSLITOOC-LLVKDONJSA-N 1 2 182.311 2.657 10 30 AFEELO CCCC[C@@H](C#N)[NH+]1CCCCC1 41053500 573824817 /nfs/dbraw/zinc/82/48/17/573824817.db2.gz ZZEUIZSEPAJSIX-NSHDSACASA-N 1 2 180.295 2.555 10 30 AFEELO CCCCCC[C@H](C)[NH2+][C@H](C)C#N 43515450 573825450 /nfs/dbraw/zinc/82/54/50/573825450.db2.gz UQMXPTAKLGDKAE-WDEREUQCSA-N 1 2 182.311 2.847 10 30 AFEELO CCCC[C@H](C#N)[NH2+]C1CCCC1 41053317 573825521 /nfs/dbraw/zinc/82/55/21/573825521.db2.gz HTAOAXHBMUJKDF-LLVKDONJSA-N 1 2 180.295 2.601 10 30 AFEELO CC[C@@H](C)C[C@@H](C#N)[NH+](CC)CC 394402683 573825623 /nfs/dbraw/zinc/82/56/23/573825623.db2.gz CQGOBSFPFJXCTB-MNOVXSKESA-N 1 2 182.311 2.657 10 30 AFEELO CCCC[C@H](C#N)[NH2+]C1CCCCC1 41053321 573825912 /nfs/dbraw/zinc/82/59/12/573825912.db2.gz YNSAMUCLBGRAIB-GFCCVEGCSA-N 1 2 194.322 2.991 10 30 AFEELO CC(C)CCC[C@H](C)[NH2+][C@@H](C)C#N 43515417 573827597 /nfs/dbraw/zinc/82/75/97/573827597.db2.gz FLPOKXVNHNNMEH-QWRGUYRKSA-N 1 2 182.311 2.703 10 30 AFEELO CC(C)CCC[C@@H](C)[NH2+][C@@H](C)C#N 43515416 573826979 /nfs/dbraw/zinc/82/69/79/573826979.db2.gz FLPOKXVNHNNMEH-MNOVXSKESA-N 1 2 182.311 2.703 10 30 AFEELO CCCCCC[C@@H](C)[NH2+][C@H](C)C#N 43515449 573829472 /nfs/dbraw/zinc/82/94/72/573829472.db2.gz UQMXPTAKLGDKAE-GHMZBOCLSA-N 1 2 182.311 2.847 10 30 AFEELO CC(C)CCC[C@@H](C)[NH2+][C@H](C)C#N 43515418 573829795 /nfs/dbraw/zinc/82/97/95/573829795.db2.gz FLPOKXVNHNNMEH-GHMZBOCLSA-N 1 2 182.311 2.703 10 30 AFEELO CC(C)[NH2+][C@H](C#N)C1CCCCCC1 84329652 573829921 /nfs/dbraw/zinc/82/99/21/573829921.db2.gz LSPMLVVSRRSFIX-GFCCVEGCSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@@H](C#N)[NH2+][C@@H]1CCCC[C@@H]1CC 43541012 573834842 /nfs/dbraw/zinc/83/48/42/573834842.db2.gz QNTAVMLUVFHBLY-SDDRHHMPSA-N 1 2 194.322 2.847 10 30 AFEELO CC(C)[NH2+][C@H](C#N)[C@H]1CCC[C@@H](C)C1 84343710 573840139 /nfs/dbraw/zinc/84/01/39/573840139.db2.gz RKOQXYBRIKNNTF-GRYCIOLGSA-N 1 2 194.322 2.703 10 30 AFEELO CC(C)c1cn2cccc(CC#N)c2[nH+]1 214982125 573840435 /nfs/dbraw/zinc/84/04/35/573840435.db2.gz NCZVZOLDDIIEGP-UHFFFAOYSA-N 1 2 199.257 2.524 10 30 AFEELO CC[C@H](C#N)[N@H+](C)[C@@H](C)CC(C)C 43556759 573844131 /nfs/dbraw/zinc/84/41/31/573844131.db2.gz FOFZJLCPHWIFRP-WDEREUQCSA-N 1 2 182.311 2.655 10 30 AFEELO CC[C@H](C#N)[N@@H+](C)[C@@H](C)CC(C)C 43556759 573844134 /nfs/dbraw/zinc/84/41/34/573844134.db2.gz FOFZJLCPHWIFRP-WDEREUQCSA-N 1 2 182.311 2.655 10 30 AFEELO CC[C@@H](C#N)[N@H+](C)CC1CCCCC1 43556598 573844191 /nfs/dbraw/zinc/84/41/91/573844191.db2.gz YMNMGFPHHPWJRC-LBPRGKRZSA-N 1 2 194.322 2.801 10 30 AFEELO CC[C@@H](C#N)[N@@H+](C)CC1CCCCC1 43556598 573844196 /nfs/dbraw/zinc/84/41/96/573844196.db2.gz YMNMGFPHHPWJRC-LBPRGKRZSA-N 1 2 194.322 2.801 10 30 AFEELO CC[C@H](C#N)n1c(C)[nH+]c2ccccc21 43556855 573844473 /nfs/dbraw/zinc/84/44/73/573844473.db2.gz OLUAJAPPTSWHIT-SNVBAGLBSA-N 1 2 199.257 2.819 10 30 AFEELO CCCC[N@@H+](C1CC1)[C@@H](C#N)CC 43556596 573849204 /nfs/dbraw/zinc/84/92/04/573849204.db2.gz FUEMPRBXEBGSPH-SNVBAGLBSA-N 1 2 180.295 2.553 10 30 AFEELO CCCC[N@H+](C1CC1)[C@@H](C#N)CC 43556596 573849209 /nfs/dbraw/zinc/84/92/09/573849209.db2.gz FUEMPRBXEBGSPH-SNVBAGLBSA-N 1 2 180.295 2.553 10 30 AFEELO Cc1cc(C)c(N=[N+]=[N-])c(C)[nH+]1 238542359 573854672 /nfs/dbraw/zinc/85/46/72/573854672.db2.gz YDZRKSHECYNWIS-UHFFFAOYSA-N 1 2 162.196 2.949 10 30 AFEELO C[C@@H](C#N)[NH2+]CC(C)(C)C1=CCCC1 308769251 573857543 /nfs/dbraw/zinc/85/75/43/573857543.db2.gz XUDQXVVRBOVBLJ-JTQLQIEISA-N 1 2 192.306 2.625 10 30 AFEELO SCc1[nH]cc(C2CCCCC2)[nH+]1 258984018 573885892 /nfs/dbraw/zinc/88/58/92/573885892.db2.gz AFLMXDHWWVVILE-UHFFFAOYSA-N 1 2 196.319 2.887 10 30 AFEELO SCCc1[nH]c(C2CCCC2)c[nH+]1 259227294 573898477 /nfs/dbraw/zinc/89/84/77/573898477.db2.gz ZXVQNRQMVWMGCM-UHFFFAOYSA-N 1 2 196.319 2.540 10 30 AFEELO CC1([C@@](C)(C#N)[NH+]2CCCCC2)CC1 87366460 573900584 /nfs/dbraw/zinc/90/05/84/573900584.db2.gz JKJXJOZPWVDASH-GFCCVEGCSA-N 1 2 192.306 2.555 10 30 AFEELO CC(C)(C)CC[C@@](C)(C#N)[NH2+]C1CC1 308463813 573924262 /nfs/dbraw/zinc/92/42/62/573924262.db2.gz HAZUWJOWXRPXCQ-LBPRGKRZSA-N 1 2 194.322 2.847 10 30 AFEELO C=C[C@@H](Nc1cccc[nH+]1)C(C)C 238207343 573951644 /nfs/dbraw/zinc/95/16/44/573951644.db2.gz NPSXYIJXNYYYFR-SNVBAGLBSA-N 1 2 176.263 2.704 10 30 AFEELO CCCCCC#Cc1ccc[nH+]c1N 238246832 574009703 /nfs/dbraw/zinc/00/97/03/574009703.db2.gz MPJYRYSPNHZQIX-UHFFFAOYSA-N 1 2 188.274 2.596 10 30 AFEELO CC(C)C[NH2+][C@@]1(C#N)CCC(C)(C)C1 87772653 574027644 /nfs/dbraw/zinc/02/76/44/574027644.db2.gz YZQIXLOZNGBJCU-LBPRGKRZSA-N 1 2 194.322 2.704 10 30 AFEELO CC[C@@H](C)[NH2+][C@]1(C#N)CCC(C)(C)C1 87772696 574027908 /nfs/dbraw/zinc/02/79/08/574027908.db2.gz TWNUSLWBTSLGJZ-ZYHUDNBSSA-N 1 2 194.322 2.847 10 30 AFEELO CC(C)C[NH2+][C@]1(C#N)CCC(C)(C)C1 87772652 574028218 /nfs/dbraw/zinc/02/82/18/574028218.db2.gz YZQIXLOZNGBJCU-GFCCVEGCSA-N 1 2 194.322 2.704 10 30 AFEELO CC(C)[NH2+][C@H](C#N)C1(C(C)C)CCC1 686133926 574041293 /nfs/dbraw/zinc/04/12/93/574041293.db2.gz RXJWLRCRNJUXJF-LLVKDONJSA-N 1 2 194.322 2.703 10 30 AFEELO C=CCCCC[NH+]1CC(F)(C2CC2)C1 1209200583 762285180 /nfs/dbraw/zinc/28/51/80/762285180.db2.gz KCDKDAARXXJEMV-UHFFFAOYSA-N 1 2 197.297 2.777 10 30 AFEELO C=CCCCC[N@@H+]1CCCC[C@@H]1C#N 1209204355 762289204 /nfs/dbraw/zinc/28/92/04/762289204.db2.gz CQLVIACZTBEUSH-GFCCVEGCSA-N 1 2 192.306 2.721 10 30 AFEELO C=CCCCC[N@H+]1CCCC[C@@H]1C#N 1209204355 762289208 /nfs/dbraw/zinc/28/92/08/762289208.db2.gz CQLVIACZTBEUSH-GFCCVEGCSA-N 1 2 192.306 2.721 10 30 AFEELO C=CCCCC[N@@H+]1CCCC[C@H]1C#N 1209204357 762290311 /nfs/dbraw/zinc/29/03/11/762290311.db2.gz CQLVIACZTBEUSH-LBPRGKRZSA-N 1 2 192.306 2.721 10 30 AFEELO C=CCCCC[N@H+]1CCCC[C@H]1C#N 1209204357 762290314 /nfs/dbraw/zinc/29/03/14/762290314.db2.gz CQLVIACZTBEUSH-LBPRGKRZSA-N 1 2 192.306 2.721 10 30 AFEELO C=CCCCCC[NH+]1CC(C)(F)C1 1209423397 762311793 /nfs/dbraw/zinc/31/17/93/762311793.db2.gz OEMITOHKXCHQGD-UHFFFAOYSA-N 1 2 185.286 2.777 10 30 AFEELO C=C(C)c1c[nH+]c(C)cc1C 1240835197 764930074 /nfs/dbraw/zinc/93/00/74/764930074.db2.gz NUTPVPDMYAQEAZ-UHFFFAOYSA-N 1 2 147.221 2.732 10 30 AFEELO C=C(C)c1cc[nH+]c(C)c1C 1240835578 764931399 /nfs/dbraw/zinc/93/13/99/764931399.db2.gz VQKDDJPOBDBLMV-UHFFFAOYSA-N 1 2 147.221 2.732 10 30 AFEELO C=C(C)c1c(C)cc[nH+]c1C 1240838039 764940029 /nfs/dbraw/zinc/94/00/29/764940029.db2.gz OCJALKZFCGVVFO-UHFFFAOYSA-N 1 2 147.221 2.732 10 30 AFEELO CC[C@@H](C)[NH2+][C@](C)(C#N)CC(C)C 38064572 1169077162 /nfs/dbraw/zinc/07/71/62/1169077162.db2.gz SXUUJQSCSDVJRR-MNOVXSKESA-N 1 2 182.311 2.703 10 30 AFEELO CC[C@](C)(C#N)[NH2+]C1CCCCC1 37969488 1169077495 /nfs/dbraw/zinc/07/74/95/1169077495.db2.gz HYEVGIYXAFQEBD-LLVKDONJSA-N 1 2 180.295 2.601 10 30 AFEELO CC[C@@H](C)[NH2+]C1(C#N)CCCCC1 38064196 1169077557 /nfs/dbraw/zinc/07/75/57/1169077557.db2.gz KNPABKOGGVRWMY-SNVBAGLBSA-N 1 2 180.295 2.601 10 30 AFEELO CC[C@H](C#N)[NH2+]C1CCCCCC1 37970257 1169078031 /nfs/dbraw/zinc/07/80/31/1169078031.db2.gz GWNNSSAVRLYVJJ-SNVBAGLBSA-N 1 2 180.295 2.601 10 30 AFEELO CC(C)C[C@@H](C#N)[NH2+]C1CCCCC1 37969426 1169078050 /nfs/dbraw/zinc/07/80/50/1169078050.db2.gz NUXIERVOOOCBHP-LBPRGKRZSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@H](C)[NH2+]C1(C#N)CCCCC1 38064197 1169078378 /nfs/dbraw/zinc/07/83/78/1169078378.db2.gz KNPABKOGGVRWMY-JTQLQIEISA-N 1 2 180.295 2.601 10 30 AFEELO CC[C@H](C)[NH2+][C@](C)(C#N)CC(C)C 38064573 1169079084 /nfs/dbraw/zinc/07/90/84/1169079084.db2.gz SXUUJQSCSDVJRR-QWRGUYRKSA-N 1 2 182.311 2.703 10 30 AFEELO CC(C)C[C@H](C#N)[NH2+]C1CCCCC1 37969427 1169079767 /nfs/dbraw/zinc/07/97/67/1169079767.db2.gz NUXIERVOOOCBHP-GFCCVEGCSA-N 1 2 194.322 2.847 10 30 AFEELO CC(C)C[C@](C)(C#N)[NH2+]C1CCCC1 37968455 1169080417 /nfs/dbraw/zinc/08/04/17/1169080417.db2.gz YMXDKZFMZUQOEZ-GFCCVEGCSA-N 1 2 194.322 2.847 10 30 AFEELO CC(C)C[C@@](C)(C#N)[NH2+]C1CCCC1 37968454 1169080786 /nfs/dbraw/zinc/08/07/86/1169080786.db2.gz YMXDKZFMZUQOEZ-LBPRGKRZSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@@](C)(C#N)[NH2+]C1CCCCC1 37969487 1169080931 /nfs/dbraw/zinc/08/09/31/1169080931.db2.gz HYEVGIYXAFQEBD-NSHDSACASA-N 1 2 180.295 2.601 10 30 AFEELO CC[C@H](C)[NH2+][C@@](C)(C#N)CC(C)C 38064575 1169081556 /nfs/dbraw/zinc/08/15/56/1169081556.db2.gz SXUUJQSCSDVJRR-WDEREUQCSA-N 1 2 182.311 2.703 10 30 AFEELO CCC(C#N)(CC)[NH2+]C1CCCC1 37968503 1169081631 /nfs/dbraw/zinc/08/16/31/1169081631.db2.gz KACMSAFCFIYRLY-UHFFFAOYSA-N 1 2 180.295 2.601 10 30 AFEELO CCCCCCC[N@@H+]1CCC[C@H]1C#N 113222876 1169147565 /nfs/dbraw/zinc/14/75/65/1169147565.db2.gz ARZZUOYXGXFLCU-LBPRGKRZSA-N 1 2 194.322 2.945 10 30 AFEELO CCCCCCC[N@H+]1CCC[C@H]1C#N 113222876 1169147569 /nfs/dbraw/zinc/14/75/69/1169147569.db2.gz ARZZUOYXGXFLCU-LBPRGKRZSA-N 1 2 194.322 2.945 10 30 AFEELO CCCCCCCC[N@@H+]1CCC(=O)C1 116960234 1169158434 /nfs/dbraw/zinc/15/84/34/1169158434.db2.gz FRLNUITWGUIQLV-UHFFFAOYSA-N 1 2 197.322 2.622 10 30 AFEELO CCCCCCCC[N@H+]1CCC(=O)C1 116960234 1169158438 /nfs/dbraw/zinc/15/84/38/1169158438.db2.gz FRLNUITWGUIQLV-UHFFFAOYSA-N 1 2 197.322 2.622 10 30 AFEELO CCCCCCC[N@@H+]1CCCC(=O)C1 134129616 1169188260 /nfs/dbraw/zinc/18/82/60/1169188260.db2.gz KYJDXOZIUFYMDC-UHFFFAOYSA-N 1 2 197.322 2.622 10 30 AFEELO CCCCCCC[N@H+]1CCCC(=O)C1 134129616 1169188266 /nfs/dbraw/zinc/18/82/66/1169188266.db2.gz KYJDXOZIUFYMDC-UHFFFAOYSA-N 1 2 197.322 2.622 10 30 AFEELO CC[N@H+](CC#N)C[C@H](C)CC(C)(C)C 709141958 673992951 /nfs/dbraw/zinc/99/29/51/673992951.db2.gz NPARULAYEJKOJP-LLVKDONJSA-N 1 2 196.338 2.904 10 30 AFEELO CC[N@@H+](CC#N)C[C@H](C)CC(C)(C)C 709141958 673992953 /nfs/dbraw/zinc/99/29/53/673992953.db2.gz NPARULAYEJKOJP-LLVKDONJSA-N 1 2 196.338 2.904 10 30 AFEELO CC[N@H+](CC#N)C[C@@H](C)CC(C)(C)C 709141959 673993007 /nfs/dbraw/zinc/99/30/07/673993007.db2.gz NPARULAYEJKOJP-NSHDSACASA-N 1 2 196.338 2.904 10 30 AFEELO CC[N@@H+](CC#N)C[C@@H](C)CC(C)(C)C 709141959 673993008 /nfs/dbraw/zinc/99/30/08/673993008.db2.gz NPARULAYEJKOJP-NSHDSACASA-N 1 2 196.338 2.904 10 30 AFEELO CC(C)CCC[N@@H+]1CCCC[C@@H]1C#N 165330736 1169275289 /nfs/dbraw/zinc/27/52/89/1169275289.db2.gz YVBZYCSUJANPLB-GFCCVEGCSA-N 1 2 194.322 2.801 10 30 AFEELO CC(C)CCC[N@H+]1CCCC[C@@H]1C#N 165330736 1169275298 /nfs/dbraw/zinc/27/52/98/1169275298.db2.gz YVBZYCSUJANPLB-GFCCVEGCSA-N 1 2 194.322 2.801 10 30 AFEELO CC(C)CCC[N@@H+]1CCCC[C@H]1C#N 165330864 1169275671 /nfs/dbraw/zinc/27/56/71/1169275671.db2.gz YVBZYCSUJANPLB-LBPRGKRZSA-N 1 2 194.322 2.801 10 30 AFEELO CC(C)CCC[N@H+]1CCCC[C@H]1C#N 165330864 1169275679 /nfs/dbraw/zinc/27/56/79/1169275679.db2.gz YVBZYCSUJANPLB-LBPRGKRZSA-N 1 2 194.322 2.801 10 30 AFEELO C#C[C@H](C)Nc1[nH+]ccc2ccccc12 166905861 1169278845 /nfs/dbraw/zinc/27/88/45/1169278845.db2.gz NUPOOUFUVSSYTH-JTQLQIEISA-N 1 2 196.253 2.668 10 30 AFEELO CC[C@H](C#N)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 221393356 1169352770 /nfs/dbraw/zinc/35/27/70/1169352770.db2.gz MXGRFGHTQUZAOM-WRWGMCAJSA-N 1 2 194.322 2.703 10 30 AFEELO CCCC[C@H](CCC)[NH2+][C@H](C)C#N 226038821 1169374418 /nfs/dbraw/zinc/37/44/18/1169374418.db2.gz CVFMXXCPOFEELA-MNOVXSKESA-N 1 2 182.311 2.847 10 30 AFEELO CCCC[C@@H](CCC)[NH2+][C@H](C)C#N 226038811 1169375266 /nfs/dbraw/zinc/37/52/66/1169375266.db2.gz CVFMXXCPOFEELA-GHMZBOCLSA-N 1 2 182.311 2.847 10 30 AFEELO CCCC[C@H](CCC)[NH2+][C@@H](C)C#N 226038799 1169375890 /nfs/dbraw/zinc/37/58/90/1169375890.db2.gz CVFMXXCPOFEELA-QWRGUYRKSA-N 1 2 182.311 2.847 10 30 AFEELO CCCC[C@@H](CCC)[NH2+][C@@H](C)C#N 226038793 1169376292 /nfs/dbraw/zinc/37/62/92/1169376292.db2.gz CVFMXXCPOFEELA-WDEREUQCSA-N 1 2 182.311 2.847 10 30 AFEELO C[C@@H](C#N)[N@H+](C)[C@H]1CC[C@@H](C)[C@H](C)C1 251532849 1169429009 /nfs/dbraw/zinc/42/90/09/1169429009.db2.gz AJOXWTQMWWSCJF-WYUUTHIRSA-N 1 2 194.322 2.655 10 30 AFEELO C[C@@H](C#N)[N@@H+](C)[C@H]1CC[C@@H](C)[C@H](C)C1 251532849 1169429019 /nfs/dbraw/zinc/42/90/19/1169429019.db2.gz AJOXWTQMWWSCJF-WYUUTHIRSA-N 1 2 194.322 2.655 10 30 AFEELO CC[C@H](C#N)[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 251221204 1169429437 /nfs/dbraw/zinc/42/94/37/1169429437.db2.gz MXGRFGHTQUZAOM-NNYUYHANSA-N 1 2 194.322 2.703 10 30 AFEELO C[C@H]1C[C@@H]([N@@H+](C)[C@H](C)C#N)CC[C@H]1C 251532831 1169429517 /nfs/dbraw/zinc/42/95/17/1169429517.db2.gz AJOXWTQMWWSCJF-KXNHARMFSA-N 1 2 194.322 2.655 10 30 AFEELO C[C@H]1C[C@@H]([N@H+](C)[C@H](C)C#N)CC[C@H]1C 251532831 1169429521 /nfs/dbraw/zinc/42/95/21/1169429521.db2.gz AJOXWTQMWWSCJF-KXNHARMFSA-N 1 2 194.322 2.655 10 30 AFEELO CC[C@H](C#N)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 251221203 1169429535 /nfs/dbraw/zinc/42/95/35/1169429535.db2.gz MXGRFGHTQUZAOM-DDHJBXDOSA-N 1 2 194.322 2.703 10 30 AFEELO C[C@@H]1CC[C@H]([N@@H+](C)[C@H](C)C#N)C[C@H]1C 251532812 1169429601 /nfs/dbraw/zinc/42/96/01/1169429601.db2.gz AJOXWTQMWWSCJF-KKOKHZNYSA-N 1 2 194.322 2.655 10 30 AFEELO C[C@@H]1CC[C@H]([N@H+](C)[C@H](C)C#N)C[C@H]1C 251532812 1169429603 /nfs/dbraw/zinc/42/96/03/1169429603.db2.gz AJOXWTQMWWSCJF-KKOKHZNYSA-N 1 2 194.322 2.655 10 30 AFEELO CCC[C@H](C)C[N@@H+]1CCCC[C@H]1C#N 251329035 1169429668 /nfs/dbraw/zinc/42/96/68/1169429668.db2.gz NBTUQYPVVGPCRF-RYUDHWBXSA-N 1 2 194.322 2.801 10 30 AFEELO CCC[C@H](C)C[N@H+]1CCCC[C@H]1C#N 251329035 1169429674 /nfs/dbraw/zinc/42/96/74/1169429674.db2.gz NBTUQYPVVGPCRF-RYUDHWBXSA-N 1 2 194.322 2.801 10 30 AFEELO CCC[C@@H](C)C[N@@H+]1CCCC[C@H]1C#N 251329031 1169429694 /nfs/dbraw/zinc/42/96/94/1169429694.db2.gz NBTUQYPVVGPCRF-NEPJUHHUSA-N 1 2 194.322 2.801 10 30 AFEELO CCC[C@@H](C)C[N@H+]1CCCC[C@H]1C#N 251329031 1169429697 /nfs/dbraw/zinc/42/96/97/1169429697.db2.gz NBTUQYPVVGPCRF-NEPJUHHUSA-N 1 2 194.322 2.801 10 30 AFEELO C[C@@H](C#N)c1ccc(-c2[nH]cc[nH+]2)cc1 260132058 1169444725 /nfs/dbraw/zinc/44/47/25/1169444725.db2.gz MLLQAOOIMDFDHQ-VIFPVBQESA-N 1 2 197.241 2.704 10 30 AFEELO C[C@H](C#N)c1ccc(-c2[nH]cc[nH+]2)cc1 260132055 1169446827 /nfs/dbraw/zinc/44/68/27/1169446827.db2.gz MLLQAOOIMDFDHQ-SECBINFHSA-N 1 2 197.241 2.704 10 30 AFEELO N#CCCc1ccc(-c2[nH]cc[nH+]2)cc1 260576905 1169448607 /nfs/dbraw/zinc/44/86/07/1169448607.db2.gz CFJUBXKMVDOXCQ-UHFFFAOYSA-N 1 2 197.241 2.533 10 30 AFEELO C#CCNc1cc(C)c2ccccc2[nH+]1 309051392 1169553319 /nfs/dbraw/zinc/55/33/19/1169553319.db2.gz QAIMZYARYGHLRC-UHFFFAOYSA-N 1 2 196.253 2.588 10 30 AFEELO CCC[C@@H](C)[NH2+]C(C#N)(CC)CC 388117648 1169618483 /nfs/dbraw/zinc/61/84/83/1169618483.db2.gz GJWHTMHIZOKYNI-SNVBAGLBSA-N 1 2 182.311 2.847 10 30 AFEELO CCC[C@H](C)[NH2+]C(C#N)(CC)CC 388117647 1169618712 /nfs/dbraw/zinc/61/87/12/1169618712.db2.gz GJWHTMHIZOKYNI-JTQLQIEISA-N 1 2 182.311 2.847 10 30 AFEELO C[C@H]1C[C@H]([N@H+](C)CC#N)CC(C)(C)C1 708746977 1169720071 /nfs/dbraw/zinc/72/00/71/1169720071.db2.gz HIZNPEVRPJTIGC-QWRGUYRKSA-N 1 2 194.322 2.657 10 30 AFEELO C[C@H]1C[C@H]([N@@H+](C)CC#N)CC(C)(C)C1 708746977 1169720080 /nfs/dbraw/zinc/72/00/80/1169720080.db2.gz HIZNPEVRPJTIGC-QWRGUYRKSA-N 1 2 194.322 2.657 10 30 AFEELO C[C@@H]1C[C@H]([N@H+](C)CC#N)CC(C)(C)C1 708746973 1169720870 /nfs/dbraw/zinc/72/08/70/1169720870.db2.gz HIZNPEVRPJTIGC-MNOVXSKESA-N 1 2 194.322 2.657 10 30 AFEELO C[C@@H]1C[C@H]([N@@H+](C)CC#N)CC(C)(C)C1 708746973 1169720879 /nfs/dbraw/zinc/72/08/79/1169720879.db2.gz HIZNPEVRPJTIGC-MNOVXSKESA-N 1 2 194.322 2.657 10 30 AFEELO C[C@H]1C[C@@H]([N@H+](C)CC#N)CC(C)(C)C1 708746980 1169721530 /nfs/dbraw/zinc/72/15/30/1169721530.db2.gz HIZNPEVRPJTIGC-WDEREUQCSA-N 1 2 194.322 2.657 10 30 AFEELO C[C@H]1C[C@@H]([N@@H+](C)CC#N)CC(C)(C)C1 708746980 1169721536 /nfs/dbraw/zinc/72/15/36/1169721536.db2.gz HIZNPEVRPJTIGC-WDEREUQCSA-N 1 2 194.322 2.657 10 30 AFEELO C[C@@H]1C[C@@H]([N@H+](C)CC#N)CC(C)(C)C1 708746969 1169721580 /nfs/dbraw/zinc/72/15/80/1169721580.db2.gz HIZNPEVRPJTIGC-GHMZBOCLSA-N 1 2 194.322 2.657 10 30 AFEELO C[C@@H]1C[C@@H]([N@@H+](C)CC#N)CC(C)(C)C1 708746969 1169721590 /nfs/dbraw/zinc/72/15/90/1169721590.db2.gz HIZNPEVRPJTIGC-GHMZBOCLSA-N 1 2 194.322 2.657 10 30 AFEELO C[C@@H](C#N)[N@H+](C)[C@@H]1CCCC(C)(C)C1 708578351 1169722321 /nfs/dbraw/zinc/72/23/21/1169722321.db2.gz UFUPXSATVIHORY-WDEREUQCSA-N 1 2 194.322 2.799 10 30 AFEELO C[C@@H](C#N)[N@@H+](C)[C@@H]1CCCC(C)(C)C1 708578351 1169722335 /nfs/dbraw/zinc/72/23/35/1169722335.db2.gz UFUPXSATVIHORY-WDEREUQCSA-N 1 2 194.322 2.799 10 30 AFEELO C[C@H](C#N)[N@H+](C)[C@H]1CCCC(C)(C)C1 708578349 1169722577 /nfs/dbraw/zinc/72/25/77/1169722577.db2.gz UFUPXSATVIHORY-MNOVXSKESA-N 1 2 194.322 2.799 10 30 AFEELO C[C@H](C#N)[N@@H+](C)[C@H]1CCCC(C)(C)C1 708578349 1169722586 /nfs/dbraw/zinc/72/25/86/1169722586.db2.gz UFUPXSATVIHORY-MNOVXSKESA-N 1 2 194.322 2.799 10 30 AFEELO C[C@@H](C#N)[N@H+](C)[C@H]1CCCC(C)(C)C1 708578350 1169723184 /nfs/dbraw/zinc/72/31/84/1169723184.db2.gz UFUPXSATVIHORY-QWRGUYRKSA-N 1 2 194.322 2.799 10 30 AFEELO C[C@@H](C#N)[N@@H+](C)[C@H]1CCCC(C)(C)C1 708578350 1169723191 /nfs/dbraw/zinc/72/31/91/1169723191.db2.gz UFUPXSATVIHORY-QWRGUYRKSA-N 1 2 194.322 2.799 10 30 AFEELO C[C@H](C#N)[N@H+](C)[C@@H]1CCCC(C)(C)C1 708578348 1169723363 /nfs/dbraw/zinc/72/33/63/1169723363.db2.gz UFUPXSATVIHORY-GHMZBOCLSA-N 1 2 194.322 2.799 10 30 AFEELO C[C@H](C#N)[N@@H+](C)[C@@H]1CCCC(C)(C)C1 708578348 1169723371 /nfs/dbraw/zinc/72/33/71/1169723371.db2.gz UFUPXSATVIHORY-GHMZBOCLSA-N 1 2 194.322 2.799 10 30 AFEELO C[C@H](C#N)[N@H+](C)C1CCC2(CC1)CC2 723414419 1169767337 /nfs/dbraw/zinc/76/73/37/1169767337.db2.gz UCCBODMGROFYGM-SNVBAGLBSA-N 1 2 192.306 2.553 10 30 AFEELO C[C@H](C#N)[N@@H+](C)C1CCC2(CC1)CC2 723414419 1169767352 /nfs/dbraw/zinc/76/73/52/1169767352.db2.gz UCCBODMGROFYGM-SNVBAGLBSA-N 1 2 192.306 2.553 10 30 AFEELO C[C@@H](C#N)[N@H+](C)C1CCC2(CC1)CC2 723414417 1169770596 /nfs/dbraw/zinc/77/05/96/1169770596.db2.gz UCCBODMGROFYGM-JTQLQIEISA-N 1 2 192.306 2.553 10 30 AFEELO C[C@@H](C#N)[N@@H+](C)C1CCC2(CC1)CC2 723414417 1169770603 /nfs/dbraw/zinc/77/06/03/1169770603.db2.gz UCCBODMGROFYGM-JTQLQIEISA-N 1 2 192.306 2.553 10 30 AFEELO CCCC[C@H](CC)[NH2+][C@@H](C#N)CC 1257413108 1170013420 /nfs/dbraw/zinc/01/34/20/1170013420.db2.gz SPRDIFNXZHNJMF-WDEREUQCSA-N 1 2 182.311 2.847 10 30 AFEELO CCCC[C@@H](CC)[NH2+][C@H](C#N)CC 1257413106 1170013543 /nfs/dbraw/zinc/01/35/43/1170013543.db2.gz SPRDIFNXZHNJMF-MNOVXSKESA-N 1 2 182.311 2.847 10 30 AFEELO CCCC[C@@H](CC)[NH2+][C@@H](C#N)CC 1257413105 1170013977 /nfs/dbraw/zinc/01/39/77/1170013977.db2.gz SPRDIFNXZHNJMF-GHMZBOCLSA-N 1 2 182.311 2.847 10 30 AFEELO CCCC[C@H](CC)[NH2+][C@H](C#N)CC 1257413107 1170014347 /nfs/dbraw/zinc/01/43/47/1170014347.db2.gz SPRDIFNXZHNJMF-QWRGUYRKSA-N 1 2 182.311 2.847 10 30 AFEELO CCCC[C@@H](CC)[N@H+](C)[C@H](C)C#N 1257426066 1170016896 /nfs/dbraw/zinc/01/68/96/1170016896.db2.gz FVYOUNCLHKPTRC-GHMZBOCLSA-N 1 2 182.311 2.799 10 30 AFEELO CCCC[C@@H](CC)[N@@H+](C)[C@H](C)C#N 1257426066 1170016905 /nfs/dbraw/zinc/01/69/05/1170016905.db2.gz FVYOUNCLHKPTRC-GHMZBOCLSA-N 1 2 182.311 2.799 10 30 AFEELO CCCC[C@H](CC)[N@H+](C)[C@@H](C)C#N 1257426068 1170017047 /nfs/dbraw/zinc/01/70/47/1170017047.db2.gz FVYOUNCLHKPTRC-QWRGUYRKSA-N 1 2 182.311 2.799 10 30 AFEELO CCCC[C@H](CC)[N@@H+](C)[C@@H](C)C#N 1257426068 1170017054 /nfs/dbraw/zinc/01/70/54/1170017054.db2.gz FVYOUNCLHKPTRC-QWRGUYRKSA-N 1 2 182.311 2.799 10 30 AFEELO CCCC[C@@H](CC)[N@H+](C)[C@@H](C)C#N 1257426069 1170017689 /nfs/dbraw/zinc/01/76/89/1170017689.db2.gz FVYOUNCLHKPTRC-WDEREUQCSA-N 1 2 182.311 2.799 10 30 AFEELO CCCC[C@@H](CC)[N@@H+](C)[C@@H](C)C#N 1257426069 1170017697 /nfs/dbraw/zinc/01/76/97/1170017697.db2.gz FVYOUNCLHKPTRC-WDEREUQCSA-N 1 2 182.311 2.799 10 30 AFEELO CCCC[C@H](CC)[N@H+](C)[C@H](C)C#N 1257426067 1170017950 /nfs/dbraw/zinc/01/79/50/1170017950.db2.gz FVYOUNCLHKPTRC-MNOVXSKESA-N 1 2 182.311 2.799 10 30 AFEELO CCCC[C@H](CC)[N@@H+](C)[C@H](C)C#N 1257426067 1170017958 /nfs/dbraw/zinc/01/79/58/1170017958.db2.gz FVYOUNCLHKPTRC-MNOVXSKESA-N 1 2 182.311 2.799 10 30 AFEELO CCCCC[C@@H](CC)[NH2+][C@@H](C)C#N 1258439867 1170065826 /nfs/dbraw/zinc/06/58/26/1170065826.db2.gz XAMXDWCAUFNGEG-WDEREUQCSA-N 1 2 182.311 2.847 10 30 AFEELO CCCCC[C@@H](CC)[N@H+](C)CC#N 1258445669 1170066066 /nfs/dbraw/zinc/06/60/66/1170066066.db2.gz KRQKHVVAURSAOC-LLVKDONJSA-N 1 2 182.311 2.801 10 30 AFEELO CCCCC[C@@H](CC)[N@@H+](C)CC#N 1258445669 1170066074 /nfs/dbraw/zinc/06/60/74/1170066074.db2.gz KRQKHVVAURSAOC-LLVKDONJSA-N 1 2 182.311 2.801 10 30 AFEELO CCCCC[C@H](CC)[NH2+][C@H](C)C#N 1258439863 1170066157 /nfs/dbraw/zinc/06/61/57/1170066157.db2.gz XAMXDWCAUFNGEG-MNOVXSKESA-N 1 2 182.311 2.847 10 30 AFEELO CCCCC[C@@H](CC)[NH2+][C@H](C)C#N 1258439862 1170067501 /nfs/dbraw/zinc/06/75/01/1170067501.db2.gz XAMXDWCAUFNGEG-GHMZBOCLSA-N 1 2 182.311 2.847 10 30 AFEELO CCCCC[C@H](CC)[NH2+][C@@H](C)C#N 1258439865 1170067953 /nfs/dbraw/zinc/06/79/53/1170067953.db2.gz XAMXDWCAUFNGEG-QWRGUYRKSA-N 1 2 182.311 2.847 10 30 AFEELO CCCCC[C@H](CC)[N@H+](C)CC#N 1258445670 1170068342 /nfs/dbraw/zinc/06/83/42/1170068342.db2.gz KRQKHVVAURSAOC-NSHDSACASA-N 1 2 182.311 2.801 10 30 AFEELO CCCCC[C@H](CC)[N@@H+](C)CC#N 1258445670 1170068351 /nfs/dbraw/zinc/06/83/51/1170068351.db2.gz KRQKHVVAURSAOC-NSHDSACASA-N 1 2 182.311 2.801 10 30 AFEELO C=CCCCCn1c[nH+]c(CC)c1 1641418758 1170857718 /nfs/dbraw/zinc/85/77/18/1170857718.db2.gz MRPBAQNQFUXADB-UHFFFAOYSA-N 1 2 178.279 2.802 10 30 AFEELO C=CCC[NH2+]c1ccc(OC)c(C)c1 70592015 571673375 /nfs/dbraw/zinc/67/33/75/571673375.db2.gz HTPPMXNURNXPPA-UHFFFAOYSA-N 1 2 191.274 2.992 10 30 AFEELO C=CCCCSc1ccc(N)[nH+]c1 70592732 571674337 /nfs/dbraw/zinc/67/43/37/571674337.db2.gz YSDHEVHGCZSYDU-UHFFFAOYSA-N 1 2 194.303 2.722 10 30 AFEELO CCC[NH2+][C@@]1(C#N)CCC[C@@H](CC)C1 70563190 571691720 /nfs/dbraw/zinc/69/17/20/571691720.db2.gz XJQGKQWHKFTXAU-NEPJUHHUSA-N 1 2 194.322 2.849 10 30 AFEELO CCC[NH2+][C@]1(C#N)CCC[C@@H](CC)C1 70563189 571691925 /nfs/dbraw/zinc/69/19/25/571691925.db2.gz XJQGKQWHKFTXAU-VXGBXAGGSA-N 1 2 194.322 2.849 10 30 AFEELO CCC[NH2+][C@@]1(C#N)CCC[C@H](CC)C1 70563188 571692778 /nfs/dbraw/zinc/69/27/78/571692778.db2.gz XJQGKQWHKFTXAU-RYUDHWBXSA-N 1 2 194.322 2.849 10 30 AFEELO CCC[NH2+][C@]1(C#N)CCC[C@H](CC)C1 70563187 571693035 /nfs/dbraw/zinc/69/30/35/571693035.db2.gz XJQGKQWHKFTXAU-NWDGAFQWSA-N 1 2 194.322 2.849 10 30 AFEELO CCC[NH2+][C@]1(C#N)CCCC[C@@H]1CC 70568444 571694106 /nfs/dbraw/zinc/69/41/06/571694106.db2.gz GUTSXVOCDMKILZ-RYUDHWBXSA-N 1 2 194.322 2.849 10 30 AFEELO C=CC[NH2+][C@]1(C#N)CCCC[C@H]1CC 70568512 571694699 /nfs/dbraw/zinc/69/46/99/571694699.db2.gz ZTZSKCLPGWQWJT-NEPJUHHUSA-N 1 2 192.306 2.625 10 30 AFEELO C=CC[NH2+][C@]1(C#N)CCCC[C@@H]1CC 70568513 571694835 /nfs/dbraw/zinc/69/48/35/571694835.db2.gz ZTZSKCLPGWQWJT-RYUDHWBXSA-N 1 2 192.306 2.625 10 30 AFEELO CC[C@@H]1CCC[C@H]([N@H+](CC)CC#N)C1 70565102 571694855 /nfs/dbraw/zinc/69/48/55/571694855.db2.gz CVZWOSSSHRGRNX-NEPJUHHUSA-N 1 2 194.322 2.801 10 30 AFEELO CC[C@@H]1CCC[C@H]([N@@H+](CC)CC#N)C1 70565102 571694858 /nfs/dbraw/zinc/69/48/58/571694858.db2.gz CVZWOSSSHRGRNX-NEPJUHHUSA-N 1 2 194.322 2.801 10 30 AFEELO C=CC[NH2+][C@@]1(C#N)CCCC[C@@H]1CC 70568515 571695050 /nfs/dbraw/zinc/69/50/50/571695050.db2.gz ZTZSKCLPGWQWJT-NWDGAFQWSA-N 1 2 192.306 2.625 10 30 AFEELO CCC[NH2+][C@@]1(C#N)CCCC[C@@H]1CC 70568445 571695157 /nfs/dbraw/zinc/69/51/57/571695157.db2.gz GUTSXVOCDMKILZ-NWDGAFQWSA-N 1 2 194.322 2.849 10 30 AFEELO CC[C@@H]1CCC[C@@H]([N@H+](CC)CC#N)C1 70565104 571695179 /nfs/dbraw/zinc/69/51/79/571695179.db2.gz CVZWOSSSHRGRNX-VXGBXAGGSA-N 1 2 194.322 2.801 10 30 AFEELO CC[C@@H]1CCC[C@@H]([N@@H+](CC)CC#N)C1 70565104 571695182 /nfs/dbraw/zinc/69/51/82/571695182.db2.gz CVZWOSSSHRGRNX-VXGBXAGGSA-N 1 2 194.322 2.801 10 30 AFEELO C=CC[NH2+][C@@]1(C#N)CCCC[C@H]1CC 70568514 571695298 /nfs/dbraw/zinc/69/52/98/571695298.db2.gz ZTZSKCLPGWQWJT-VXGBXAGGSA-N 1 2 192.306 2.625 10 30 AFEELO CC[C@H]1CCC[C@H]([N@H+](CC)CC#N)C1 70565103 571695455 /nfs/dbraw/zinc/69/54/55/571695455.db2.gz CVZWOSSSHRGRNX-RYUDHWBXSA-N 1 2 194.322 2.801 10 30 AFEELO CC[C@H]1CCC[C@H]([N@@H+](CC)CC#N)C1 70565103 571695459 /nfs/dbraw/zinc/69/54/59/571695459.db2.gz CVZWOSSSHRGRNX-RYUDHWBXSA-N 1 2 194.322 2.801 10 30 AFEELO CCC[NH2+][C@@]1(C#N)CCCC[C@H]1CC 70568447 571695525 /nfs/dbraw/zinc/69/55/25/571695525.db2.gz GUTSXVOCDMKILZ-VXGBXAGGSA-N 1 2 194.322 2.849 10 30 AFEELO CC[C@H]1CCC[C@H]([N@H+](C)[C@@H](C)C#N)C1 70565107 571695628 /nfs/dbraw/zinc/69/56/28/571695628.db2.gz GKQNKBZHSYHTPE-SRVKXCTJSA-N 1 2 194.322 2.799 10 30 AFEELO CC[C@H]1CCC[C@H]([N@@H+](C)[C@@H](C)C#N)C1 70565107 571695631 /nfs/dbraw/zinc/69/56/31/571695631.db2.gz GKQNKBZHSYHTPE-SRVKXCTJSA-N 1 2 194.322 2.799 10 30 AFEELO CC[C@H]1CCC[C@@H]([N@H+](C)[C@@H](C)C#N)C1 70565109 571696369 /nfs/dbraw/zinc/69/63/69/571696369.db2.gz GKQNKBZHSYHTPE-SDDRHHMPSA-N 1 2 194.322 2.799 10 30 AFEELO CC[C@H]1CCC[C@@H]([N@@H+](C)[C@@H](C)C#N)C1 70565109 571696372 /nfs/dbraw/zinc/69/63/72/571696372.db2.gz GKQNKBZHSYHTPE-SDDRHHMPSA-N 1 2 194.322 2.799 10 30 AFEELO CCC[NH2+][C@]1(C#N)CCCC[C@H]1CC 70568446 571696394 /nfs/dbraw/zinc/69/63/94/571696394.db2.gz GUTSXVOCDMKILZ-NEPJUHHUSA-N 1 2 194.322 2.849 10 30 AFEELO CC[C@H]1CCC[C@@H]([N@H+](CC)CC#N)C1 70565105 571696755 /nfs/dbraw/zinc/69/67/55/571696755.db2.gz CVZWOSSSHRGRNX-NWDGAFQWSA-N 1 2 194.322 2.801 10 30 AFEELO CC[C@H]1CCC[C@@H]([N@@H+](CC)CC#N)C1 70565105 571696758 /nfs/dbraw/zinc/69/67/58/571696758.db2.gz CVZWOSSSHRGRNX-NWDGAFQWSA-N 1 2 194.322 2.801 10 30 AFEELO CC[C@@H](C)[NH2+][C@@](C)(C#N)CC(C)C 38064574 571712226 /nfs/dbraw/zinc/71/22/26/571712226.db2.gz SXUUJQSCSDVJRR-GHMZBOCLSA-N 1 2 182.311 2.703 10 30 AFEELO C=CCc1cc2ccccc2[nH+]c1N 116609474 571715638 /nfs/dbraw/zinc/71/56/38/571715638.db2.gz OTKKFDLUQRUEPH-UHFFFAOYSA-N 1 2 184.242 2.546 10 30 AFEELO CC[C@@H]1CC[C@](C#N)([NH2+]CC(C)C)C1 70644588 571717510 /nfs/dbraw/zinc/71/75/10/571717510.db2.gz RMGUQXRGTIYILB-NEPJUHHUSA-N 1 2 194.322 2.704 10 30 AFEELO CC[C@H](C)[NH2+][C@]1(C#N)CC[C@@H](CC)C1 70644742 571717686 /nfs/dbraw/zinc/71/76/86/571717686.db2.gz XQFDXWKDEXANJH-QJPTWQEYSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@@H]1CC[C@@](C#N)([NH2+]CC(C)C)C1 70644586 571717804 /nfs/dbraw/zinc/71/78/04/571717804.db2.gz RMGUQXRGTIYILB-VXGBXAGGSA-N 1 2 194.322 2.704 10 30 AFEELO CC[C@H]1CC[C@@](C#N)([NH2+]CC(C)C)C1 70644587 571718059 /nfs/dbraw/zinc/71/80/59/571718059.db2.gz RMGUQXRGTIYILB-NWDGAFQWSA-N 1 2 194.322 2.704 10 30 AFEELO CC[C@H]1CC[C@](C#N)([NH2+]CC(C)C)C1 70644589 571718088 /nfs/dbraw/zinc/71/80/88/571718088.db2.gz RMGUQXRGTIYILB-RYUDHWBXSA-N 1 2 194.322 2.704 10 30 AFEELO Cc1ccc([C@@H](C)[NH2+][C@H](C)CC#N)o1 38097781 571718387 /nfs/dbraw/zinc/71/83/87/571718387.db2.gz WEFYAKZQKNGFNU-PSASIEDQSA-N 1 2 192.262 2.541 10 30 AFEELO CC[C@H](C)[NH2+][C@@]1(C#N)CC[C@@H](CC)C1 70644744 571718537 /nfs/dbraw/zinc/71/85/37/571718537.db2.gz XQFDXWKDEXANJH-TUAOUCFPSA-N 1 2 194.322 2.847 10 30 AFEELO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC#N)o1 38097779 571719456 /nfs/dbraw/zinc/71/94/56/571719456.db2.gz WEFYAKZQKNGFNU-WCBMZHEXSA-N 1 2 192.262 2.541 10 30 AFEELO CCCCC[N@@H+]1CCCC[C@@H]1C#N 70662621 571726707 /nfs/dbraw/zinc/72/67/07/571726707.db2.gz WLUMFXJUQAMDRV-LLVKDONJSA-N 1 2 180.295 2.555 10 30 AFEELO CCCCC[N@H+]1CCCC[C@@H]1C#N 70662621 571726709 /nfs/dbraw/zinc/72/67/09/571726709.db2.gz WLUMFXJUQAMDRV-LLVKDONJSA-N 1 2 180.295 2.555 10 30 AFEELO CCC[C@H](C)C[N@@H+]1CCCC[C@@H]1C#N 70662732 571727355 /nfs/dbraw/zinc/72/73/55/571727355.db2.gz NBTUQYPVVGPCRF-NWDGAFQWSA-N 1 2 194.322 2.801 10 30 AFEELO CCC[C@H](C)C[N@H+]1CCCC[C@@H]1C#N 70662732 571727358 /nfs/dbraw/zinc/72/73/58/571727358.db2.gz NBTUQYPVVGPCRF-NWDGAFQWSA-N 1 2 194.322 2.801 10 30 AFEELO CCC[C@@H](C)C[N@@H+]1CCCC[C@@H]1C#N 70662731 571727733 /nfs/dbraw/zinc/72/77/33/571727733.db2.gz NBTUQYPVVGPCRF-VXGBXAGGSA-N 1 2 194.322 2.801 10 30 AFEELO CCC[C@@H](C)C[N@H+]1CCCC[C@@H]1C#N 70662731 571727737 /nfs/dbraw/zinc/72/77/37/571727737.db2.gz NBTUQYPVVGPCRF-VXGBXAGGSA-N 1 2 194.322 2.801 10 30 AFEELO CCCCC[N@@H+]1CCCC[C@H]1C#N 70662622 571727857 /nfs/dbraw/zinc/72/78/57/571727857.db2.gz WLUMFXJUQAMDRV-NSHDSACASA-N 1 2 180.295 2.555 10 30 AFEELO CCCCC[N@H+]1CCCC[C@H]1C#N 70662622 571727861 /nfs/dbraw/zinc/72/78/61/571727861.db2.gz WLUMFXJUQAMDRV-NSHDSACASA-N 1 2 180.295 2.555 10 30 AFEELO CCC/C=C\C(=O)C(=[NH2+])C(C)C 214177642 571728584 /nfs/dbraw/zinc/72/85/84/571728584.db2.gz NBJDIZYHVUWAGT-MZHPKLBPSA-N 1 2 167.252 2.588 10 30 AFEELO CCC[C@@H](C)C[N@H+](CC#N)C(C)C 70715197 571745004 /nfs/dbraw/zinc/74/50/04/571745004.db2.gz LROIVWRWGQINEK-LLVKDONJSA-N 1 2 182.311 2.657 10 30 AFEELO CCC[C@@H](C)C[N@@H+](CC#N)C(C)C 70715197 571745005 /nfs/dbraw/zinc/74/50/05/571745005.db2.gz LROIVWRWGQINEK-LLVKDONJSA-N 1 2 182.311 2.657 10 30 AFEELO CCCCCC[N@H+](CC#N)C(C)C 70715053 571744189 /nfs/dbraw/zinc/74/41/89/571744189.db2.gz QTNOLZSBSAHAGB-UHFFFAOYSA-N 1 2 182.311 2.801 10 30 AFEELO CCCCCC[N@@H+](CC#N)C(C)C 70715053 571744194 /nfs/dbraw/zinc/74/41/94/571744194.db2.gz QTNOLZSBSAHAGB-UHFFFAOYSA-N 1 2 182.311 2.801 10 30 AFEELO CC(C)[N@@H+](CC#N)CCC(C)(C)C 70715152 571744625 /nfs/dbraw/zinc/74/46/25/571744625.db2.gz WXMCLXYPSVIBCP-UHFFFAOYSA-N 1 2 182.311 2.657 10 30 AFEELO CC(C)[N@H+](CC#N)CCC(C)(C)C 70715152 571744628 /nfs/dbraw/zinc/74/46/28/571744628.db2.gz WXMCLXYPSVIBCP-UHFFFAOYSA-N 1 2 182.311 2.657 10 30 AFEELO CCCCCC[C@@H](C#N)[NH2+]C1CCC1 712357391 571745252 /nfs/dbraw/zinc/74/52/52/571745252.db2.gz YYUVXGFELRRAPT-LBPRGKRZSA-N 1 2 194.322 2.991 10 30 AFEELO CCC[C@H](C)C[N@H+](CC#N)C(C)C 70715198 571746045 /nfs/dbraw/zinc/74/60/45/571746045.db2.gz LROIVWRWGQINEK-NSHDSACASA-N 1 2 182.311 2.657 10 30 AFEELO CCC[C@H](C)C[N@@H+](CC#N)C(C)C 70715198 571746046 /nfs/dbraw/zinc/74/60/46/571746046.db2.gz LROIVWRWGQINEK-NSHDSACASA-N 1 2 182.311 2.657 10 30 AFEELO CC(C)CCC#CCCc1c[nH]c[nH+]1 13795224 571748697 /nfs/dbraw/zinc/74/86/97/571748697.db2.gz FGSZNBGTIGFMGN-UHFFFAOYSA-N 1 2 190.290 2.782 10 30 in-vivo AFEELO CC(C)CCC#CCCc1c[nH+]c[nH]1 13795224 571748702 /nfs/dbraw/zinc/74/87/02/571748702.db2.gz FGSZNBGTIGFMGN-UHFFFAOYSA-N 1 2 190.290 2.782 10 30 in-vivo AFEELO CCCCCC#CCCc1c[nH]c[nH+]1 13795238 571748979 /nfs/dbraw/zinc/74/89/79/571748979.db2.gz XPYAWUGABXEBAR-UHFFFAOYSA-N 1 2 190.290 2.926 10 30 AFEELO CCCCCC#CCCc1c[nH+]c[nH]1 13795238 571748988 /nfs/dbraw/zinc/74/89/88/571748988.db2.gz XPYAWUGABXEBAR-UHFFFAOYSA-N 1 2 190.290 2.926 10 30 AFEELO CC(C)C[NH2+][C@@H](C#N)[C@H](C)CC(C)C 301003061 571769017 /nfs/dbraw/zinc/76/90/17/571769017.db2.gz XKTWKXLUXHQBJU-NEPJUHHUSA-N 1 2 196.338 2.806 10 30 AFEELO CC(C)C[NH2+][C@H](C#N)[C@@H](C)CC(C)C 301003062 571769410 /nfs/dbraw/zinc/76/94/10/571769410.db2.gz XKTWKXLUXHQBJU-NWDGAFQWSA-N 1 2 196.338 2.806 10 30 AFEELO CC(C)C[NH2+][C@H](C#N)[C@H](C)CC(C)C 301003064 571769584 /nfs/dbraw/zinc/76/95/84/571769584.db2.gz XKTWKXLUXHQBJU-VXGBXAGGSA-N 1 2 196.338 2.806 10 30 AFEELO CC(C)C[NH2+][C@@H](C#N)[C@@H](C)CC(C)C 301003063 571770498 /nfs/dbraw/zinc/77/04/98/571770498.db2.gz XKTWKXLUXHQBJU-RYUDHWBXSA-N 1 2 196.338 2.806 10 30 AFEELO C[C@H]1CC(C)(C)C[C@@](C#N)([NH+](C)C)C1 37354714 571772384 /nfs/dbraw/zinc/77/23/84/571772384.db2.gz PYVTUTZYXUDUNB-JQWIXIFHSA-N 1 2 194.322 2.657 10 30 AFEELO C[C@H]1CC(C)(C)C[C@](C#N)([NH+](C)C)C1 37354718 571772685 /nfs/dbraw/zinc/77/26/85/571772685.db2.gz PYVTUTZYXUDUNB-CMPLNLGQSA-N 1 2 194.322 2.657 10 30 AFEELO C[C@@H]1CC(C)(C)C[C@@](C#N)([NH+](C)C)C1 37354712 571774114 /nfs/dbraw/zinc/77/41/14/571774114.db2.gz PYVTUTZYXUDUNB-PWSUYJOCSA-N 1 2 194.322 2.657 10 30 AFEELO C[C@@H]1CC(C)(C)C[C@](C#N)([NH+](C)C)C1 37354716 571774239 /nfs/dbraw/zinc/77/42/39/571774239.db2.gz PYVTUTZYXUDUNB-ZYHUDNBSSA-N 1 2 194.322 2.657 10 30 AFEELO C[NH+](C)C1(C#N)CCCCCCC1 37354895 571775565 /nfs/dbraw/zinc/77/55/65/571775565.db2.gz JAXWSLWIKNMKOX-UHFFFAOYSA-N 1 2 180.295 2.555 10 30 AFEELO CCCCCCCN1CCCC[NH2+]1 400289698 571778239 /nfs/dbraw/zinc/77/82/39/571778239.db2.gz NIVPAFNRGQZMEA-UHFFFAOYSA-N 1 2 184.327 2.557 10 30 AFEELO CC[C@@H]1CC[C@](C#N)([NH2+][C@H](C)CC)C1 227213345 571783233 /nfs/dbraw/zinc/78/32/33/571783233.db2.gz XQFDXWKDEXANJH-UTUOFQBUSA-N 1 2 194.322 2.847 10 30 AFEELO CCc1cc(Cl)cc(/C=[NH+]/C)c1O 2002283 571790826 /nfs/dbraw/zinc/79/08/26/571790826.db2.gz NSHQJZVHLDYCLF-WUXMJOGZSA-N 1 2 197.665 2.657 10 30 AFEELO CCCCC[NH2+]C1(C#N)CCCC1 20177871 571796541 /nfs/dbraw/zinc/79/65/41/571796541.db2.gz PEQOTCOGFPTTKG-UHFFFAOYSA-N 1 2 180.295 2.603 10 30 AFEELO CC(C)CC[NH2+]C1(C#N)CCCCC1 20177960 571797030 /nfs/dbraw/zinc/79/70/30/571797030.db2.gz LYNKGKMJSWIMIX-UHFFFAOYSA-N 1 2 194.322 2.849 10 30 AFEELO CCCCC[NH2+]C1(C#N)CCCCC1 20177962 571797976 /nfs/dbraw/zinc/79/79/76/571797976.db2.gz ZNLUGLROVGKWRL-UHFFFAOYSA-N 1 2 194.322 2.993 10 30 AFEELO C[C@]([NH3+])(C#N)c1cccc2ccccc12 22209487 571806243 /nfs/dbraw/zinc/80/62/43/571806243.db2.gz OCPOZASYXXTZSU-ZDUSSCGKSA-N 1 2 196.253 2.537 10 30 AFEELO CCCCCC[C@@H](C#N)[NH2+]C(C)C 34973792 571807439 /nfs/dbraw/zinc/80/74/39/571807439.db2.gz GZSNJASVNAWWGW-NSHDSACASA-N 1 2 182.311 2.847 10 30 AFEELO CC(C)CC[C@@](C)(C#N)[NH2+]C(C)C 34973811 571808023 /nfs/dbraw/zinc/80/80/23/571808023.db2.gz YJCPLGAUGGLTFQ-NSHDSACASA-N 1 2 182.311 2.703 10 30 AFEELO CCCCCC[C@H](C#N)[NH2+]C(C)C 34973794 571808328 /nfs/dbraw/zinc/80/83/28/571808328.db2.gz GZSNJASVNAWWGW-LLVKDONJSA-N 1 2 182.311 2.847 10 30 AFEELO CC(C)CC[C@](C)(C#N)[NH2+]C(C)C 34973813 571809298 /nfs/dbraw/zinc/80/92/98/571809298.db2.gz YJCPLGAUGGLTFQ-LLVKDONJSA-N 1 2 182.311 2.703 10 30 AFEELO CC[C@H](C#N)[NH2+]C[C@H]1CCCC[C@H]1C 251231540 571810461 /nfs/dbraw/zinc/81/04/61/571810461.db2.gz QIAKKOCUHGAGBH-IJLUTSLNSA-N 1 2 194.322 2.704 10 30 AFEELO CC[C@H](C#N)[NH2+]C[C@@H]1CCCC[C@H]1C 251231536 571811016 /nfs/dbraw/zinc/81/10/16/571811016.db2.gz QIAKKOCUHGAGBH-GRYCIOLGSA-N 1 2 194.322 2.704 10 30 AFEELO CC[C@@H](C#N)[N@H+](C)[C@H](C)CC(C)C 251198076 571811700 /nfs/dbraw/zinc/81/17/00/571811700.db2.gz FOFZJLCPHWIFRP-MNOVXSKESA-N 1 2 182.311 2.655 10 30 AFEELO CC[C@@H](C#N)[N@@H+](C)[C@H](C)CC(C)C 251198076 571811708 /nfs/dbraw/zinc/81/17/08/571811708.db2.gz FOFZJLCPHWIFRP-MNOVXSKESA-N 1 2 182.311 2.655 10 30 AFEELO CC[C@H](C#N)[N@H+](C)[C@H](C)CC(C)C 251198074 571812172 /nfs/dbraw/zinc/81/21/72/571812172.db2.gz FOFZJLCPHWIFRP-GHMZBOCLSA-N 1 2 182.311 2.655 10 30 AFEELO CC[C@H](C#N)[N@@H+](C)[C@H](C)CC(C)C 251198074 571812175 /nfs/dbraw/zinc/81/21/75/571812175.db2.gz FOFZJLCPHWIFRP-GHMZBOCLSA-N 1 2 182.311 2.655 10 30 AFEELO CCC[C@H](C)[C@H](C#N)[NH2+][C@H](C)CC 251390005 571813202 /nfs/dbraw/zinc/81/32/02/571813202.db2.gz XVVOPSAKSYDDPS-AXFHLTTASA-N 1 2 182.311 2.703 10 30 AFEELO CC(C)C[NH2+][C@]1(C#N)CCCC[C@H]1C 37939115 571814326 /nfs/dbraw/zinc/81/43/26/571814326.db2.gz SSMDGRISOBKBPC-NEPJUHHUSA-N 1 2 194.322 2.704 10 30 AFEELO CC(C)C[NH2+][C@@]1(C#N)CCCC[C@H]1C 37939117 571814812 /nfs/dbraw/zinc/81/48/12/571814812.db2.gz SSMDGRISOBKBPC-VXGBXAGGSA-N 1 2 194.322 2.704 10 30 AFEELO CCC[C@H](C)[C@@H](C#N)[NH2+][C@H](C)CC 251390008 571815549 /nfs/dbraw/zinc/81/55/49/571815549.db2.gz XVVOPSAKSYDDPS-HBNTYKKESA-N 1 2 182.311 2.703 10 30 AFEELO CC(C)C[NH2+][C@@]1(C#N)CCCC[C@@H]1C 37939118 571817311 /nfs/dbraw/zinc/81/73/11/571817311.db2.gz SSMDGRISOBKBPC-NWDGAFQWSA-N 1 2 194.322 2.704 10 30 AFEELO CC(C)C[NH2+]C1(C#N)CCCCCC1 37939179 571817930 /nfs/dbraw/zinc/81/79/30/571817930.db2.gz DMLQEHFGJNACSZ-UHFFFAOYSA-N 1 2 194.322 2.849 10 30 AFEELO CCC(C#N)(CC)[NH2+]C1CCCCC1 37969454 571822460 /nfs/dbraw/zinc/82/24/60/571822460.db2.gz FSWBHHLFDHHMII-UHFFFAOYSA-N 1 2 194.322 2.991 10 30 AFEELO CC[C@H](C#N)[NH2+][C@@H]1CCCC[C@H]1CC 251838132 571826915 /nfs/dbraw/zinc/82/69/15/571826915.db2.gz QNTAVMLUVFHBLY-IJLUTSLNSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@H](C#N)[NH2+][C@H]1CCCC[C@H]1CC 251838134 571827566 /nfs/dbraw/zinc/82/75/66/571827566.db2.gz QNTAVMLUVFHBLY-UTUOFQBUSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@H](C#N)[NH2+][C@@H]1CCC[C@@H](C)CC1 233900925 571837838 /nfs/dbraw/zinc/83/78/38/571837838.db2.gz HMZPRYUYWVMAAV-IJLUTSLNSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@H](C#N)[NH2+][C@H]1CCC[C@@H](C)CC1 233902417 571840754 /nfs/dbraw/zinc/84/07/54/571840754.db2.gz HMZPRYUYWVMAAV-UTUOFQBUSA-N 1 2 194.322 2.847 10 30 AFEELO CC(C)[N@@H+](CC#N)CCC1CCCC1 300716708 571845065 /nfs/dbraw/zinc/84/50/65/571845065.db2.gz DRMNZTJLRHZKJH-UHFFFAOYSA-N 1 2 194.322 2.801 10 30 AFEELO CC(C)[N@H+](CC#N)CCC1CCCC1 300716708 571845067 /nfs/dbraw/zinc/84/50/67/571845067.db2.gz DRMNZTJLRHZKJH-UHFFFAOYSA-N 1 2 194.322 2.801 10 30 AFEELO CC(C)(C)/[NH+]=C/c1ccccc1O 5713470 571845522 /nfs/dbraw/zinc/84/55/22/571845522.db2.gz BISGSYSKVKLMFB-XYOKQWHBSA-N 1 2 177.247 2.610 10 30 AFEELO CCC[N@@H+](CC#N)CCC1CCCC1 300717764 571848616 /nfs/dbraw/zinc/84/86/16/571848616.db2.gz XCWBOUQPIJZCDG-UHFFFAOYSA-N 1 2 194.322 2.802 10 30 AFEELO CCC[N@H+](CC#N)CCC1CCCC1 300717764 571848621 /nfs/dbraw/zinc/84/86/21/571848621.db2.gz XCWBOUQPIJZCDG-UHFFFAOYSA-N 1 2 194.322 2.802 10 30 AFEELO CCc1cc(Cl)cc(/C=[NH+]\C)c1O 111365883 571859902 /nfs/dbraw/zinc/85/99/02/571859902.db2.gz NSHQJZVHLDYCLF-SDQBBNPISA-N 1 2 197.665 2.657 10 30 AFEELO CCCCCCCC[C@H]([NH3+])C#N 113331446 571864545 /nfs/dbraw/zinc/86/45/45/571864545.db2.gz ZVKKNLAVDMMKCU-JTQLQIEISA-N 1 2 168.284 2.588 10 30 AFEELO CCCCCCCC[C@@H]([NH3+])C#N 113331444 571865383 /nfs/dbraw/zinc/86/53/83/571865383.db2.gz ZVKKNLAVDMMKCU-SNVBAGLBSA-N 1 2 168.284 2.588 10 30 AFEELO CC(C)[N@H+](CC#N)CC1CCCCC1 70715155 571874889 /nfs/dbraw/zinc/87/48/89/571874889.db2.gz JJOQYEOLHFKMKJ-UHFFFAOYSA-N 1 2 194.322 2.801 10 30 AFEELO CC(C)[N@@H+](CC#N)CC1CCCCC1 70715155 571874890 /nfs/dbraw/zinc/87/48/90/571874890.db2.gz JJOQYEOLHFKMKJ-UHFFFAOYSA-N 1 2 194.322 2.801 10 30 AFEELO N#C[C@H]1CCCC[N@@H+]1CCCCCF 388661604 571883986 /nfs/dbraw/zinc/88/39/86/571883986.db2.gz AFIHFIXIUQZTGV-LLVKDONJSA-N 1 2 198.285 2.504 10 30 AFEELO N#C[C@H]1CCCC[N@H+]1CCCCCF 388661604 571883978 /nfs/dbraw/zinc/88/39/78/571883978.db2.gz AFIHFIXIUQZTGV-LLVKDONJSA-N 1 2 198.285 2.504 10 30 AFEELO CCC1(CC)C[C@]1(C#N)[NH2+]C(C)(C)C 36404758 571912813 /nfs/dbraw/zinc/91/28/13/571912813.db2.gz XLPWXYVKWBMGJC-GFCCVEGCSA-N 1 2 194.322 2.847 10 30 AFEELO CCC(C)(C)CC[N@H+](C)[C@H](C)C#N 711253188 571932328 /nfs/dbraw/zinc/93/23/28/571932328.db2.gz HVSJTJVINVNYFM-SNVBAGLBSA-N 1 2 182.311 2.657 10 30 AFEELO CCC(C)(C)CC[N@@H+](C)[C@H](C)C#N 711253188 571932331 /nfs/dbraw/zinc/93/23/31/571932331.db2.gz HVSJTJVINVNYFM-SNVBAGLBSA-N 1 2 182.311 2.657 10 30 AFEELO CCC(C)(C)CC[N@H+](C)[C@@H](C)C#N 711253186 571933468 /nfs/dbraw/zinc/93/34/68/571933468.db2.gz HVSJTJVINVNYFM-JTQLQIEISA-N 1 2 182.311 2.657 10 30 AFEELO CCC(C)(C)CC[N@@H+](C)[C@@H](C)C#N 711253186 571933473 /nfs/dbraw/zinc/93/34/73/571933473.db2.gz HVSJTJVINVNYFM-JTQLQIEISA-N 1 2 182.311 2.657 10 30 AFEELO CC(C)C1CC[NH+](C(C)(C)C#N)CC1 335013269 571947828 /nfs/dbraw/zinc/94/78/28/571947828.db2.gz YQTKSZQRGSHPBH-UHFFFAOYSA-N 1 2 194.322 2.657 10 30 AFEELO CCCCCC[N@H+]1CCCC[C@H]1C#N 79811487 571956356 /nfs/dbraw/zinc/95/63/56/571956356.db2.gz UXLQDDUNXLKBPO-LBPRGKRZSA-N 1 2 194.322 2.945 10 30 AFEELO CCCCCC[N@@H+]1CCC[C@H]1C#N 79808301 571955740 /nfs/dbraw/zinc/95/57/40/571955740.db2.gz PLKHEDBGQHNZSI-NSHDSACASA-N 1 2 180.295 2.555 10 30 AFEELO CCCCCC[N@H+]1CCC[C@H]1C#N 79808301 571955743 /nfs/dbraw/zinc/95/57/43/571955743.db2.gz PLKHEDBGQHNZSI-NSHDSACASA-N 1 2 180.295 2.555 10 30 AFEELO CCCCCC[N@@H+]1CCCC[C@@H]1C#N 79811485 571956343 /nfs/dbraw/zinc/95/63/43/571956343.db2.gz UXLQDDUNXLKBPO-GFCCVEGCSA-N 1 2 194.322 2.945 10 30 AFEELO CCCCCC[N@H+]1CCCC[C@@H]1C#N 79811485 571956345 /nfs/dbraw/zinc/95/63/45/571956345.db2.gz UXLQDDUNXLKBPO-GFCCVEGCSA-N 1 2 194.322 2.945 10 30 AFEELO CCCCCC[N@@H+]1CCCC[C@H]1C#N 79811487 571956354 /nfs/dbraw/zinc/95/63/54/571956354.db2.gz UXLQDDUNXLKBPO-LBPRGKRZSA-N 1 2 194.322 2.945 10 30 AFEELO CCCCCC[N@@H+]1CCC[C@@H]1C#N 79808298 571956927 /nfs/dbraw/zinc/95/69/27/571956927.db2.gz PLKHEDBGQHNZSI-LLVKDONJSA-N 1 2 180.295 2.555 10 30 AFEELO CCCCCC[N@H+]1CCC[C@@H]1C#N 79808298 571956930 /nfs/dbraw/zinc/95/69/30/571956930.db2.gz PLKHEDBGQHNZSI-LLVKDONJSA-N 1 2 180.295 2.555 10 30 AFEELO CC[C@H](C)[NH2+][C@H](C#N)[C@@H](C)CC(C)C 300834743 571978979 /nfs/dbraw/zinc/97/89/79/571978979.db2.gz CLIVQHHBDMXKER-SDDRHHMPSA-N 1 2 196.338 2.949 10 30 AFEELO CC[C@H](C)[NH2+][C@H](C#N)[C@H](C)CC(C)C 300834742 571978560 /nfs/dbraw/zinc/97/85/60/571978560.db2.gz CLIVQHHBDMXKER-GRYCIOLGSA-N 1 2 196.338 2.949 10 30 AFEELO CC(C)C[C@@H](C)C[N@H+](C)[C@@H](C)C#N 300842527 571983004 /nfs/dbraw/zinc/98/30/04/571983004.db2.gz DKJGTRIWYVAWSL-MNOVXSKESA-N 1 2 182.311 2.512 10 30 AFEELO CC(C)C[C@@H](C)C[N@@H+](C)[C@@H](C)C#N 300842527 571983007 /nfs/dbraw/zinc/98/30/07/571983007.db2.gz DKJGTRIWYVAWSL-MNOVXSKESA-N 1 2 182.311 2.512 10 30 AFEELO CC(C)C[C@@H](C)C[N@H+](C)[C@H](C)C#N 300842525 571984366 /nfs/dbraw/zinc/98/43/66/571984366.db2.gz DKJGTRIWYVAWSL-GHMZBOCLSA-N 1 2 182.311 2.512 10 30 AFEELO CC(C)C[C@@H](C)C[N@@H+](C)[C@H](C)C#N 300842525 571984367 /nfs/dbraw/zinc/98/43/67/571984367.db2.gz DKJGTRIWYVAWSL-GHMZBOCLSA-N 1 2 182.311 2.512 10 30 AFEELO CC(C)C[C@H](C)C[N@H+](C)[C@@H](C)C#N 300842529 571984549 /nfs/dbraw/zinc/98/45/49/571984549.db2.gz DKJGTRIWYVAWSL-QWRGUYRKSA-N 1 2 182.311 2.512 10 30 AFEELO CC(C)C[C@H](C)C[N@@H+](C)[C@@H](C)C#N 300842529 571984550 /nfs/dbraw/zinc/98/45/50/571984550.db2.gz DKJGTRIWYVAWSL-QWRGUYRKSA-N 1 2 182.311 2.512 10 30 AFEELO N#CCCc1c[nH]c(-c2ccccc2)[nH+]1 114037034 571985245 /nfs/dbraw/zinc/98/52/45/571985245.db2.gz QBJKMPPBWQMKGY-UHFFFAOYSA-N 1 2 197.241 2.533 10 30 AFEELO CC(C)(C)CCC[N@@H+]1CCC[C@H]1C#N 300867496 571992699 /nfs/dbraw/zinc/99/26/99/571992699.db2.gz MUYCMSSBZAKVRV-NSHDSACASA-N 1 2 194.322 2.801 10 30 AFEELO CC(C)(C)CCC[N@H+]1CCC[C@H]1C#N 300867496 571992703 /nfs/dbraw/zinc/99/27/03/571992703.db2.gz MUYCMSSBZAKVRV-NSHDSACASA-N 1 2 194.322 2.801 10 30 AFEELO CC(C)(C)CCC[N@@H+]1CCC[C@@H]1C#N 300867495 571993392 /nfs/dbraw/zinc/99/33/92/571993392.db2.gz MUYCMSSBZAKVRV-LLVKDONJSA-N 1 2 194.322 2.801 10 30 AFEELO CC(C)(C)CCC[N@H+]1CCC[C@@H]1C#N 300867495 571993394 /nfs/dbraw/zinc/99/33/94/571993394.db2.gz MUYCMSSBZAKVRV-LLVKDONJSA-N 1 2 194.322 2.801 10 30 AFEELO C=CC[C@@H]1CCc2cc(O)ccc2[NH2+]1 139985241 571993892 /nfs/dbraw/zinc/99/38/92/571993892.db2.gz LUIJRTWMZJRVBN-SNVBAGLBSA-N 1 2 189.258 2.695 10 30 AFEELO C=CC[C@H]1CCc2cc(O)ccc2[NH2+]1 139985367 571994014 /nfs/dbraw/zinc/99/40/14/571994014.db2.gz LUIJRTWMZJRVBN-JTQLQIEISA-N 1 2 189.258 2.695 10 30 AFEELO CC[C@@H](C#N)[NH2+][C@H](C)CCC(C)C 68944638 572004071 /nfs/dbraw/zinc/00/40/71/572004071.db2.gz ZEIGKSOMILQWNI-MNOVXSKESA-N 1 2 182.311 2.703 10 30 AFEELO CC[C@H](C#N)[NH2+][C@H](C)CCC(C)C 68944639 572004949 /nfs/dbraw/zinc/00/49/49/572004949.db2.gz ZEIGKSOMILQWNI-GHMZBOCLSA-N 1 2 182.311 2.703 10 30 AFEELO CC[C@@H](C#N)[NH2+][C@@H](C)CCC(C)C 68944633 572004982 /nfs/dbraw/zinc/00/49/82/572004982.db2.gz ZEIGKSOMILQWNI-QWRGUYRKSA-N 1 2 182.311 2.703 10 30 AFEELO CCCC[C@@](C#N)(CC)[NH2+]CCC 68988474 572012900 /nfs/dbraw/zinc/01/29/00/572012900.db2.gz XKLQEAWWEHYCIC-LLVKDONJSA-N 1 2 182.311 2.849 10 30 AFEELO CCCC[C@@](C#N)(CC)[NH2+]C(C)C 68988481 572012930 /nfs/dbraw/zinc/01/29/30/572012930.db2.gz SIZDBPXIXSGBQP-LLVKDONJSA-N 1 2 182.311 2.847 10 30 AFEELO CCCC[C@@](C#N)(CC)[NH2+]CC1CC1 68988584 572013575 /nfs/dbraw/zinc/01/35/75/572013575.db2.gz LWAMNJRCLDGAIS-GFCCVEGCSA-N 1 2 194.322 2.849 10 30 AFEELO C=CCCC[C@H]([NH2+]N)[C@@H]1CCC[C@H]1C 300231314 572013733 /nfs/dbraw/zinc/01/37/33/572013733.db2.gz CBYMJOQKZLHAOS-UTUOFQBUSA-N 1 2 196.338 2.611 10 30 AFEELO CCCC[C@](C#N)(CC)[NH2+]C1CC1 68988484 572013949 /nfs/dbraw/zinc/01/39/49/572013949.db2.gz LSHCZAFMXGARLE-NSHDSACASA-N 1 2 180.295 2.601 10 30 AFEELO C=CCCC[C@H]([NH2+]N)[C@H]1CCC[C@H]1C 300231315 572014355 /nfs/dbraw/zinc/01/43/55/572014355.db2.gz CBYMJOQKZLHAOS-WOPDTQHZSA-N 1 2 196.338 2.611 10 30 AFEELO CCCC[C@@](C#N)(CC)[NH2+]C1CC1 68988486 572014363 /nfs/dbraw/zinc/01/43/63/572014363.db2.gz LSHCZAFMXGARLE-LLVKDONJSA-N 1 2 180.295 2.601 10 30 AFEELO CCCC[C@](C#N)(CC)[NH2+]CCC 68988455 572014377 /nfs/dbraw/zinc/01/43/77/572014377.db2.gz XKLQEAWWEHYCIC-NSHDSACASA-N 1 2 182.311 2.849 10 30 AFEELO C=C(CC)C[C@H]([NH2+]N)[C@H]1CCC[C@H]1C 300236253 572014940 /nfs/dbraw/zinc/01/49/40/572014940.db2.gz UKEQFMDAGJOUSH-WOPDTQHZSA-N 1 2 196.338 2.611 10 30 AFEELO C=C[C@@H](C)O[NH2+]CCC(C)(C)C 400838287 572024804 /nfs/dbraw/zinc/02/48/04/572024804.db2.gz JGELUSUKIDMISN-SECBINFHSA-N 1 2 171.284 2.518 10 30 AFEELO C=C(C)CO[NH2+][C@@H](CC)[C@H]1CC1(C)C 400830975 572025133 /nfs/dbraw/zinc/02/51/33/572025133.db2.gz PFMNVLMIRGUFFW-MNOVXSKESA-N 1 2 197.322 2.908 10 30 AFEELO C=C(C)CO[NH2+][C@H](CC)[C@H]1CC1(C)C 400830974 572025588 /nfs/dbraw/zinc/02/55/88/572025588.db2.gz PFMNVLMIRGUFFW-GHMZBOCLSA-N 1 2 197.322 2.908 10 30 AFEELO C=C(C)CO[NH2+][C@@H](CC)[C@@H]1CC1(C)C 400830977 572025762 /nfs/dbraw/zinc/02/57/62/572025762.db2.gz PFMNVLMIRGUFFW-QWRGUYRKSA-N 1 2 197.322 2.908 10 30 AFEELO C=C(C)CO[NH2+][C@H](CC)[C@@H]1CC1(C)C 400830979 572026099 /nfs/dbraw/zinc/02/60/99/572026099.db2.gz PFMNVLMIRGUFFW-WDEREUQCSA-N 1 2 197.322 2.908 10 30 AFEELO CC[C@@H](CC#N)[NH2+][C@H](C)c1ccco1 35739315 572030072 /nfs/dbraw/zinc/03/00/72/572030072.db2.gz BOYZKUDMLFVQFH-ZJUUUORDSA-N 1 2 192.262 2.622 10 30 AFEELO CC[C@@H](CC#N)[NH2+][C@@H](C)c1ccco1 35739312 572030360 /nfs/dbraw/zinc/03/03/60/572030360.db2.gz BOYZKUDMLFVQFH-UWVGGRQHSA-N 1 2 192.262 2.622 10 30 AFEELO CC[C@H](CC#N)[NH2+][C@H](C)c1ccco1 35739316 572030858 /nfs/dbraw/zinc/03/08/58/572030858.db2.gz BOYZKUDMLFVQFH-NXEZZACHSA-N 1 2 192.262 2.622 10 30 AFEELO CC[C@H](CC#N)[NH2+][C@@H](C)c1ccco1 35739314 572031554 /nfs/dbraw/zinc/03/15/54/572031554.db2.gz BOYZKUDMLFVQFH-VHSXEESVSA-N 1 2 192.262 2.622 10 30 AFEELO C=C(C)CO[NH2+]CCC(C)(C)C 400844522 572034788 /nfs/dbraw/zinc/03/47/88/572034788.db2.gz MXJMTKJCCKNFFM-UHFFFAOYSA-N 1 2 171.284 2.520 10 30 AFEELO C[C@H](C#N)[N@H+](C)CCCC(C)(C)C 300914105 572042166 /nfs/dbraw/zinc/04/21/66/572042166.db2.gz SKUJNYGKHUWLKW-SNVBAGLBSA-N 1 2 182.311 2.657 10 30 AFEELO C[C@H](C#N)[N@@H+](C)CCCC(C)(C)C 300914105 572042170 /nfs/dbraw/zinc/04/21/70/572042170.db2.gz SKUJNYGKHUWLKW-SNVBAGLBSA-N 1 2 182.311 2.657 10 30 AFEELO CC(C)C[C@@H](C)[C@H](C#N)[NH2+]C(C)C 300910252 572042308 /nfs/dbraw/zinc/04/23/08/572042308.db2.gz LTQQFFZYYIELBH-MNOVXSKESA-N 1 2 182.311 2.559 10 30 AFEELO CC(C)C[C@H](C)[C@@H](C#N)[NH2+]C(C)C 300910254 572042480 /nfs/dbraw/zinc/04/24/80/572042480.db2.gz LTQQFFZYYIELBH-WDEREUQCSA-N 1 2 182.311 2.559 10 30 AFEELO CC(C)C[C@H](C)[C@H](C#N)[NH2+]C(C)C 300910253 572043328 /nfs/dbraw/zinc/04/33/28/572043328.db2.gz LTQQFFZYYIELBH-QWRGUYRKSA-N 1 2 182.311 2.559 10 30 AFEELO CC(C)C[C@@H](C)C[N@H+](CC#N)C(C)C 300919013 572048659 /nfs/dbraw/zinc/04/86/59/572048659.db2.gz MRNPQYYJDKDICR-GFCCVEGCSA-N 1 2 196.338 2.903 10 30 AFEELO CC(C)C[C@@H](C)C[N@@H+](CC#N)C(C)C 300919013 572048662 /nfs/dbraw/zinc/04/86/62/572048662.db2.gz MRNPQYYJDKDICR-GFCCVEGCSA-N 1 2 196.338 2.903 10 30 AFEELO C=C[C@H](C)O[NH2+]C1CC(C(C)C)C1 400898040 572054368 /nfs/dbraw/zinc/05/43/68/572054368.db2.gz PJHHHYIAVYDLHG-WHXUTIOJSA-N 1 2 183.295 2.517 10 30 AFEELO Cc1[nH+]c2ccccc2n1C[C@H](C)C#N 36667733 572058894 /nfs/dbraw/zinc/05/88/94/572058894.db2.gz HAOUCUDFZIYTQE-SECBINFHSA-N 1 2 199.257 2.504 10 30 AFEELO Cc1[nH+]c2ccccc2n1C[C@@H](C)C#N 36667732 572060017 /nfs/dbraw/zinc/06/00/17/572060017.db2.gz HAOUCUDFZIYTQE-VIFPVBQESA-N 1 2 199.257 2.504 10 30 AFEELO C=C(C)CO[NH2+][C@H]1CCC[C@H]1CC 400902524 572068117 /nfs/dbraw/zinc/06/81/17/572068117.db2.gz SKKFNZLUWRKQBL-MNOVXSKESA-N 1 2 183.295 2.662 10 30 AFEELO CCC[NH2+][C@@H](C#N)[C@H](C)CC(C)C 300925683 572068686 /nfs/dbraw/zinc/06/86/86/572068686.db2.gz NHFSFYXJMUHUOB-MNOVXSKESA-N 1 2 182.311 2.560 10 30 AFEELO CCC[NH2+][C@H](C#N)[C@H](C)CC(C)C 300925681 572070455 /nfs/dbraw/zinc/07/04/55/572070455.db2.gz NHFSFYXJMUHUOB-GHMZBOCLSA-N 1 2 182.311 2.560 10 30 AFEELO CCC(CC)[C@@H](C)[NH2+][C@@H](C#N)CC 82632027 572076854 /nfs/dbraw/zinc/07/68/54/572076854.db2.gz JCBQANUWMMRXQJ-MWLCHTKSSA-N 1 2 182.311 2.703 10 30 AFEELO CCC(CC)[C@@H](C)[NH2+][C@H](C#N)CC 82632021 572076911 /nfs/dbraw/zinc/07/69/11/572076911.db2.gz JCBQANUWMMRXQJ-KOLCDFICSA-N 1 2 182.311 2.703 10 30 AFEELO CCC(CC)[C@H](C)[NH2+][C@H](C#N)CC 82632024 572077475 /nfs/dbraw/zinc/07/74/75/572077475.db2.gz JCBQANUWMMRXQJ-ONGXEEELSA-N 1 2 182.311 2.703 10 30 AFEELO CCC(CC)[C@H](C)[NH2+][C@@H](C#N)CC 82632031 572077966 /nfs/dbraw/zinc/07/79/66/572077966.db2.gz JCBQANUWMMRXQJ-GXSJLCMTSA-N 1 2 182.311 2.703 10 30 AFEELO C=C[C@H](C)O[NH2+][C@H](CC)[C@@H]1CC1(C)C 400923207 572085174 /nfs/dbraw/zinc/08/51/74/572085174.db2.gz WASSUEPUJXLGRC-GARJFASQSA-N 1 2 197.322 2.907 10 30 AFEELO C[C@H]1CCC2(CCCCC2)[C@@H](C#N)[NH2+]1 34480375 572085365 /nfs/dbraw/zinc/08/53/65/572085365.db2.gz WSMBXPZTTMONND-WDEREUQCSA-N 1 2 192.306 2.601 10 30 AFEELO C[C@@H]1CCC2(CCCCC2)[C@@H](C#N)[NH2+]1 34480373 572085680 /nfs/dbraw/zinc/08/56/80/572085680.db2.gz WSMBXPZTTMONND-GHMZBOCLSA-N 1 2 192.306 2.601 10 30 AFEELO C=C[C@H](C)O[NH2+][C@@H](CC)[C@@H]1CC1(C)C 400923206 572085696 /nfs/dbraw/zinc/08/56/96/572085696.db2.gz WASSUEPUJXLGRC-DCAQKATOSA-N 1 2 197.322 2.907 10 30 AFEELO CC(C)C[C@@H](C)[C@H](C#N)[NH2+]CC1CC1 300932526 572085732 /nfs/dbraw/zinc/08/57/32/572085732.db2.gz NWRVZJMYHMODDV-PWSUYJOCSA-N 1 2 194.322 2.560 10 30 AFEELO CC(C)C[C@H](C)[C@H](C#N)[NH2+]CC1CC1 300932525 572085840 /nfs/dbraw/zinc/08/58/40/572085840.db2.gz NWRVZJMYHMODDV-JQWIXIFHSA-N 1 2 194.322 2.560 10 30 AFEELO C[C@@H]1CCC2(CCCCC2)[C@H](C#N)[NH2+]1 34480369 572086036 /nfs/dbraw/zinc/08/60/36/572086036.db2.gz WSMBXPZTTMONND-MNOVXSKESA-N 1 2 192.306 2.601 10 30 AFEELO C[C@H]1CCC2(CCCCC2)[C@H](C#N)[NH2+]1 34480371 572086554 /nfs/dbraw/zinc/08/65/54/572086554.db2.gz WSMBXPZTTMONND-QWRGUYRKSA-N 1 2 192.306 2.601 10 30 AFEELO C=CCC[C@@H]([NH2+]N)[C@H](C)CCCC 300934802 572093076 /nfs/dbraw/zinc/09/30/76/572093076.db2.gz NBQLWPYDXGBEIV-GHMZBOCLSA-N 1 2 184.327 2.611 10 30 AFEELO C=CCC[C@@H]([NH2+]N)[C@@H](C)CCCC 300935629 572102085 /nfs/dbraw/zinc/10/20/85/572102085.db2.gz NBQLWPYDXGBEIV-WDEREUQCSA-N 1 2 184.327 2.611 10 30 AFEELO C=CCC[C@H]([NH2+]N)[C@@H](C)CCCC 300935627 572102479 /nfs/dbraw/zinc/10/24/79/572102479.db2.gz NBQLWPYDXGBEIV-QWRGUYRKSA-N 1 2 184.327 2.611 10 30 AFEELO CC(C)(S)C[NH2+]c1ccc(O)cc1 34826823 572112106 /nfs/dbraw/zinc/11/21/06/572112106.db2.gz HVLBSXFCMATZTL-UHFFFAOYSA-N 1 2 197.303 2.513 10 30 AFEELO C[C@@H]1CC([N@@H+](C)[C@@H](C)C#N)C[C@H](C)C1 82832729 572131426 /nfs/dbraw/zinc/13/14/26/572131426.db2.gz GBBHUMAPBLUPLC-PSIUFMSWSA-N 1 2 194.322 2.655 10 30 AFEELO C[C@@H]1CC([N@H+](C)[C@@H](C)C#N)C[C@H](C)C1 82832729 572131429 /nfs/dbraw/zinc/13/14/29/572131429.db2.gz GBBHUMAPBLUPLC-PSIUFMSWSA-N 1 2 194.322 2.655 10 30 AFEELO CC(C)[NH2+]C1(C#N)C[C@@H](C)C[C@@H](C)C1 82831059 572130060 /nfs/dbraw/zinc/13/00/60/572130060.db2.gz QKFRUYFMDSIXGY-FOSCPWQOSA-N 1 2 194.322 2.703 10 30 AFEELO CC[N@H+](CC#N)C1C[C@@H](C)C[C@@H](C)C1 82832727 572130113 /nfs/dbraw/zinc/13/01/13/572130113.db2.gz MZGCMFNIOXORFZ-FOSCPWQOSA-N 1 2 194.322 2.657 10 30 AFEELO CC[N@@H+](CC#N)C1C[C@@H](C)C[C@@H](C)C1 82832727 572130115 /nfs/dbraw/zinc/13/01/15/572130115.db2.gz MZGCMFNIOXORFZ-FOSCPWQOSA-N 1 2 194.322 2.657 10 30 AFEELO CCC[NH2+]C1(C#N)C[C@@H](C)C[C@@H](C)C1 82831056 572131308 /nfs/dbraw/zinc/13/13/08/572131308.db2.gz PCOHCYZSFWISSM-FOSCPWQOSA-N 1 2 194.322 2.704 10 30 AFEELO CC(C)[NH2+][C@@]1(C#N)CC[C@H](C)[C@@H](C)C1 82838042 572132051 /nfs/dbraw/zinc/13/20/51/572132051.db2.gz IHEDZGIKYMNKKB-SRVKXCTJSA-N 1 2 194.322 2.703 10 30 AFEELO CC(C)[NH2+][C@@]1(C#N)CC[C@@H](C)[C@@H](C)C1 82838039 572132099 /nfs/dbraw/zinc/13/20/99/572132099.db2.gz IHEDZGIKYMNKKB-WOPDTQHZSA-N 1 2 194.322 2.703 10 30 AFEELO CC[C@H](C#N)[NH2+]C1C[C@@H](C)C[C@@H](C)C1 82835054 572132173 /nfs/dbraw/zinc/13/21/73/572132173.db2.gz YBFSKBBAZKZBRE-FBTJUVTCSA-N 1 2 194.322 2.703 10 30 AFEELO CC[C@H](C#N)[NH2+]C[C@H]1CCC[C@H](C)C1 300360596 572132978 /nfs/dbraw/zinc/13/29/78/572132978.db2.gz VVLUYRXRDQKTNZ-SDDRHHMPSA-N 1 2 194.322 2.704 10 30 AFEELO CC[C@H](C#N)[NH2+]C[C@@H]1CCC[C@H](C)C1 300360595 572133127 /nfs/dbraw/zinc/13/31/27/572133127.db2.gz VVLUYRXRDQKTNZ-QJPTWQEYSA-N 1 2 194.322 2.704 10 30 AFEELO CC[C@@H](C#N)[NH2+]C1C[C@@H](C)C[C@@H](C)C1 82835053 572134164 /nfs/dbraw/zinc/13/41/64/572134164.db2.gz YBFSKBBAZKZBRE-PSIUFMSWSA-N 1 2 194.322 2.703 10 30 AFEELO CCCC[NH2+][C@@H](C#N)C1CCCCC1 71506922 572142583 /nfs/dbraw/zinc/14/25/83/572142583.db2.gz RILHPUPRMUMUSQ-LBPRGKRZSA-N 1 2 194.322 2.849 10 30 AFEELO CCCC[NH2+][C@H](C#N)C1CCCCC1 71506923 572144235 /nfs/dbraw/zinc/14/42/35/572144235.db2.gz RILHPUPRMUMUSQ-GFCCVEGCSA-N 1 2 194.322 2.849 10 30 AFEELO C#CCCNc1ccc2ccccc2[nH+]1 69790763 572144575 /nfs/dbraw/zinc/14/45/75/572144575.db2.gz DMVMWKSECPVMRZ-UHFFFAOYSA-N 1 2 196.253 2.670 10 30 AFEELO CC[C@@H](C#N)[NH2+][C@H]1CCC[C@@H](CC)C1 82847649 572153312 /nfs/dbraw/zinc/15/33/12/572153312.db2.gz UWGQUIASYUGLAX-WOPDTQHZSA-N 1 2 194.322 2.847 10 30 AFEELO C[C@H]1C[C@H]([N@@H+](C)[C@@H](C)C#N)CC[C@H]1C 82841897 572153640 /nfs/dbraw/zinc/15/36/40/572153640.db2.gz AJOXWTQMWWSCJF-NOOOWODRSA-N 1 2 194.322 2.655 10 30 AFEELO C[C@H]1C[C@H]([N@H+](C)[C@@H](C)C#N)CC[C@H]1C 82841897 572153642 /nfs/dbraw/zinc/15/36/42/572153642.db2.gz AJOXWTQMWWSCJF-NOOOWODRSA-N 1 2 194.322 2.655 10 30 AFEELO CC[C@@H](C#N)[NH2+][C@@H]1CCC[C@@H](CC)C1 82847651 572153705 /nfs/dbraw/zinc/15/37/05/572153705.db2.gz UWGQUIASYUGLAX-GRYCIOLGSA-N 1 2 194.322 2.847 10 30 AFEELO CCC[NH2+][C@@]1(C#N)CCC[C@@H](C)[C@@H]1C 82860169 572154409 /nfs/dbraw/zinc/15/44/09/572154409.db2.gz OZNSAZLXFBVHKW-GRYCIOLGSA-N 1 2 194.322 2.704 10 30 AFEELO CCC[NH2+][C@@]1(C#N)CC[C@H](C)C[C@@H]1C 82860171 572155218 /nfs/dbraw/zinc/15/52/18/572155218.db2.gz WFGCVEBJNBGICR-SDDRHHMPSA-N 1 2 194.322 2.704 10 30 AFEELO CC(C)[NH2+][C@@]1(C#N)C[C@@H](C)CC[C@@H]1C 82860187 572155018 /nfs/dbraw/zinc/15/50/18/572155018.db2.gz GCFMAHGLQCOIHF-SDDRHHMPSA-N 1 2 194.322 2.703 10 30 AFEELO CCC[NH2+][C@@]1(C#N)C[C@H](C)CC[C@@H]1C 82860175 572155027 /nfs/dbraw/zinc/15/50/27/572155027.db2.gz MGNLEEZEXFDCRA-GRYCIOLGSA-N 1 2 194.322 2.704 10 30 AFEELO CCC[NH2+][C@@]1(C#N)CC[C@@H](C)C[C@@H]1C 82860173 572155294 /nfs/dbraw/zinc/15/52/94/572155294.db2.gz WFGCVEBJNBGICR-GRYCIOLGSA-N 1 2 194.322 2.704 10 30 AFEELO CCC[NH2+][C@@]1(C#N)C[C@@H](C)CC[C@@H]1C 82860177 572155553 /nfs/dbraw/zinc/15/55/53/572155553.db2.gz MGNLEEZEXFDCRA-SDDRHHMPSA-N 1 2 194.322 2.704 10 30 AFEELO CCC[N@H+](CC#N)C[C@H](C)CC(C)C 300966993 572186088 /nfs/dbraw/zinc/18/60/88/572186088.db2.gz RPEZPEBPGSLHNF-GFCCVEGCSA-N 1 2 196.338 2.904 10 30 AFEELO CCC[N@@H+](CC#N)C[C@H](C)CC(C)C 300966993 572186090 /nfs/dbraw/zinc/18/60/90/572186090.db2.gz RPEZPEBPGSLHNF-GFCCVEGCSA-N 1 2 196.338 2.904 10 30 AFEELO CC[NH+](CC)[C@H](C#N)[C@H](C)CC(C)C 300969247 572189838 /nfs/dbraw/zinc/18/98/38/572189838.db2.gz RWMNCABSSLQUOB-VXGBXAGGSA-N 1 2 196.338 2.903 10 30 AFEELO CC[NH+](CC)[C@H](C#N)[C@@H](C)CC(C)C 300969242 572190427 /nfs/dbraw/zinc/19/04/27/572190427.db2.gz RWMNCABSSLQUOB-NWDGAFQWSA-N 1 2 196.338 2.903 10 30 AFEELO CC[NH+](CC)[C@@H](C#N)[C@@H](C)CC(C)C 300969245 572190466 /nfs/dbraw/zinc/19/04/66/572190466.db2.gz RWMNCABSSLQUOB-RYUDHWBXSA-N 1 2 196.338 2.903 10 30 AFEELO C=C(C)CO[NH2+]C(C(C)C)C(C)C 401005172 572190931 /nfs/dbraw/zinc/19/09/31/572190931.db2.gz YAKACGJUWNCWFL-UHFFFAOYSA-N 1 2 185.311 2.764 10 30 AFEELO CC[C@](C#N)([NH2+]C1CCCC1)C1CC1 83057648 572192573 /nfs/dbraw/zinc/19/25/73/572192573.db2.gz DJXTYJPTGYUDDZ-GFCCVEGCSA-N 1 2 192.306 2.601 10 30 AFEELO CC[C@@](C#N)([NH2+]C1CCCC1)C1CC1 83057650 572193057 /nfs/dbraw/zinc/19/30/57/572193057.db2.gz DJXTYJPTGYUDDZ-LBPRGKRZSA-N 1 2 192.306 2.601 10 30 AFEELO CC[C@@H](C#N)[N@H+](CCC(C)C)C1CC1 109493748 572193373 /nfs/dbraw/zinc/19/33/73/572193373.db2.gz BPXXMVUTDYPWCL-NSHDSACASA-N 1 2 194.322 2.799 10 30 AFEELO CC[C@@H](C#N)[N@@H+](CCC(C)C)C1CC1 109493748 572193377 /nfs/dbraw/zinc/19/33/77/572193377.db2.gz BPXXMVUTDYPWCL-NSHDSACASA-N 1 2 194.322 2.799 10 30 AFEELO CC[C@H](C#N)[N@H+](CCC(C)C)C1CC1 109493750 572193910 /nfs/dbraw/zinc/19/39/10/572193910.db2.gz BPXXMVUTDYPWCL-LLVKDONJSA-N 1 2 194.322 2.799 10 30 AFEELO CC[C@H](C#N)[N@@H+](CCC(C)C)C1CC1 109493750 572193913 /nfs/dbraw/zinc/19/39/13/572193913.db2.gz BPXXMVUTDYPWCL-LLVKDONJSA-N 1 2 194.322 2.799 10 30 AFEELO CCC1CCC([N@H+](C)[C@@H](C)C#N)CC1 43522180 572197364 /nfs/dbraw/zinc/19/73/64/572197364.db2.gz ADXKVIDPSCLTCK-UNXYVOJBSA-N 1 2 194.322 2.799 10 30 AFEELO CCC1CCC([N@@H+](C)[C@@H](C)C#N)CC1 43522180 572197367 /nfs/dbraw/zinc/19/73/67/572197367.db2.gz ADXKVIDPSCLTCK-UNXYVOJBSA-N 1 2 194.322 2.799 10 30 AFEELO CC[C@H](C#N)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C 43539369 572198314 /nfs/dbraw/zinc/19/83/14/572198314.db2.gz ZGCDGHRYAMJZNZ-NNYUYHANSA-N 1 2 194.322 2.703 10 30 AFEELO CCC1CCC([N@H+](C)[C@H](C)C#N)CC1 43522183 572198390 /nfs/dbraw/zinc/19/83/90/572198390.db2.gz ADXKVIDPSCLTCK-VOMCLLRMSA-N 1 2 194.322 2.799 10 30 AFEELO CCC1CCC([N@@H+](C)[C@H](C)C#N)CC1 43522183 572198392 /nfs/dbraw/zinc/19/83/92/572198392.db2.gz ADXKVIDPSCLTCK-VOMCLLRMSA-N 1 2 194.322 2.799 10 30 AFEELO CCC1CCC([N@H+](CC)CC#N)CC1 70236039 572203085 /nfs/dbraw/zinc/20/30/85/572203085.db2.gz OVKKHWRMQIJNAC-UHFFFAOYSA-N 1 2 194.322 2.801 10 30 AFEELO CCC1CCC([N@@H+](CC)CC#N)CC1 70236039 572203090 /nfs/dbraw/zinc/20/30/90/572203090.db2.gz OVKKHWRMQIJNAC-UHFFFAOYSA-N 1 2 194.322 2.801 10 30 AFEELO CC(C)[NH2+]C1(C#N)CCCCCCC1 36924732 572230514 /nfs/dbraw/zinc/23/05/14/572230514.db2.gz IWIVFOUKIJBCQF-UHFFFAOYSA-N 1 2 194.322 2.991 10 30 AFEELO CC1CCC(CC[NH2+][C@H](C)C#N)CC1 70532585 572234282 /nfs/dbraw/zinc/23/42/82/572234282.db2.gz BKRZMMAMHPAMTI-MOENNCHZSA-N 1 2 194.322 2.704 10 30 AFEELO C[C@@H](C#N)[NH2+]CC[C@H]1CCC[C@@H](C)C1 70532362 572234969 /nfs/dbraw/zinc/23/49/69/572234969.db2.gz TULUVJYSVPKUAG-GRYCIOLGSA-N 1 2 194.322 2.704 10 30 AFEELO C[C@@H](C#N)[NH2+]CC[C@@H]1CCC[C@@H](C)C1 70532364 572235375 /nfs/dbraw/zinc/23/53/75/572235375.db2.gz TULUVJYSVPKUAG-WOPDTQHZSA-N 1 2 194.322 2.704 10 30 AFEELO C=CCC[NH2+]c1ccc(N(C)C)cc1 70591673 572239069 /nfs/dbraw/zinc/23/90/69/572239069.db2.gz FDIHBDSHNVYPAK-UHFFFAOYSA-N 1 2 190.290 2.741 10 30 AFEELO C=CCCNc1ccc([NH+](C)C)cc1 70591673 572239074 /nfs/dbraw/zinc/23/90/74/572239074.db2.gz FDIHBDSHNVYPAK-UHFFFAOYSA-N 1 2 190.290 2.741 10 30 AFEELO C=CCC[NH2+]c1ccc(OC)cc1 70591462 572239144 /nfs/dbraw/zinc/23/91/44/572239144.db2.gz BJVYGVZYWOZMBT-UHFFFAOYSA-N 1 2 177.247 2.683 10 30 AFEELO CCCCCC[C@@H](C#N)[NH2+]CC1CC1 37946696 572246869 /nfs/dbraw/zinc/24/68/69/572246869.db2.gz RHYNSHWXUBAODR-LBPRGKRZSA-N 1 2 194.322 2.849 10 30 AFEELO CC(C)[NH2+][C@H](C#N)CC1=CCCCC1 238201305 572332770 /nfs/dbraw/zinc/33/27/70/572332770.db2.gz BGNBRCCKONCKOU-LBPRGKRZSA-N 1 2 192.306 2.767 10 30 AFEELO CCC/C=[NH+]/[C@H](CO)c1ccccc1 238219294 572350548 /nfs/dbraw/zinc/35/05/48/572350548.db2.gz DRQRCIZPBAQHSQ-AUWXEVLLSA-N 1 2 191.274 2.591 10 30 AFEELO CCC/C=[NH+]/[C@@H](CO)c1ccccc1 238219054 572350600 /nfs/dbraw/zinc/35/06/00/572350600.db2.gz DRQRCIZPBAQHSQ-OQZOHAQUSA-N 1 2 191.274 2.591 10 30 AFEELO CCC(CC)(CS)Cn1cc[nH+]c1 87091042 572360428 /nfs/dbraw/zinc/36/04/28/572360428.db2.gz CKJALNFIXQBLNX-UHFFFAOYSA-N 1 2 198.335 2.619 10 30 AFEELO CCCCCCC[NH2+]C(C)(C)C#N 238223100 572383018 /nfs/dbraw/zinc/38/30/18/572383018.db2.gz GZKZPDOXJOVEIC-UHFFFAOYSA-N 1 2 182.311 2.849 10 30 AFEELO C=CCC[C@H](C)[N@H+](C)CC(F)F 308009435 572395820 /nfs/dbraw/zinc/39/58/20/572395820.db2.gz FLUQKVVGJRQDCU-QMMMGPOBSA-N 1 2 177.238 2.538 10 30 AFEELO C=CCC[C@H](C)[N@@H+](C)CC(F)F 308009435 572395827 /nfs/dbraw/zinc/39/58/27/572395827.db2.gz FLUQKVVGJRQDCU-QMMMGPOBSA-N 1 2 177.238 2.538 10 30 AFEELO C=CCC[C@@H](C)[N@@H+](C)CC(F)F 308009430 572396930 /nfs/dbraw/zinc/39/69/30/572396930.db2.gz FLUQKVVGJRQDCU-MRVPVSSYSA-N 1 2 177.238 2.538 10 30 AFEELO C=CCC[C@@H](C)[N@H+](C)CC(F)F 308009430 572396925 /nfs/dbraw/zinc/39/69/25/572396925.db2.gz FLUQKVVGJRQDCU-MRVPVSSYSA-N 1 2 177.238 2.538 10 30 AFEELO CCC[C@@]1(C)C[C@@]1(C#N)[NH2+]C(C)(C)C 238236385 572416041 /nfs/dbraw/zinc/41/60/41/572416041.db2.gz TWUXFGHPQRKIDY-RYUDHWBXSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@@H](CC#N)[NH2+][C@H](C)c1ccoc1 87290182 572416920 /nfs/dbraw/zinc/41/69/20/572416920.db2.gz BQWOKUFMYFEKMP-KOLCDFICSA-N 1 2 192.262 2.622 10 30 AFEELO CC[C@H](CC#N)[NH2+][C@@H](C)c1ccoc1 87290181 572417085 /nfs/dbraw/zinc/41/70/85/572417085.db2.gz BQWOKUFMYFEKMP-GXSJLCMTSA-N 1 2 192.262 2.622 10 30 AFEELO CC[C@H](CC#N)[NH2+][C@H](C)c1ccoc1 87290183 572417715 /nfs/dbraw/zinc/41/77/15/572417715.db2.gz BQWOKUFMYFEKMP-MWLCHTKSSA-N 1 2 192.262 2.622 10 30 AFEELO CCCC[C@@]([NH3+])(C#N)c1ccccc1 238796138 572418038 /nfs/dbraw/zinc/41/80/38/572418038.db2.gz MYPZJRVFQHDMRO-GFCCVEGCSA-N 1 2 188.274 2.554 10 30 AFEELO CCC[C@@]1(C)C[C@]1(C#N)[NH2+]C(C)(C)C 238236271 572418170 /nfs/dbraw/zinc/41/81/70/572418170.db2.gz TWUXFGHPQRKIDY-NWDGAFQWSA-N 1 2 194.322 2.847 10 30 AFEELO CC(C)CC1(C[NH2+]CC#N)CCCC1 87309716 572418250 /nfs/dbraw/zinc/41/82/50/572418250.db2.gz NVGACRQKHSNTET-UHFFFAOYSA-N 1 2 194.322 2.706 10 30 AFEELO C=C(C)C[N@@H+](C)c1ccc(N)c(C)c1 307312180 572440607 /nfs/dbraw/zinc/44/06/07/572440607.db2.gz GFWNHQWSPCKAGY-UHFFFAOYSA-N 1 2 190.290 2.590 10 30 AFEELO C=C(C)C[N@H+](C)c1ccc(N)c(C)c1 307312180 572440609 /nfs/dbraw/zinc/44/06/09/572440609.db2.gz GFWNHQWSPCKAGY-UHFFFAOYSA-N 1 2 190.290 2.590 10 30 AFEELO Cc1ccc2[nH+]c(C)c([C@@H](C)C#N)n2c1 31915854 572442107 /nfs/dbraw/zinc/44/21/07/572442107.db2.gz OZXWHPXNDRNFAQ-VIFPVBQESA-N 1 2 199.257 2.578 10 30 AFEELO Cc1[nH+]c2cccc(C)n2c1[C@H](C)C#N 31915772 572444652 /nfs/dbraw/zinc/44/46/52/572444652.db2.gz GDXKZECGRXYZDJ-MRVPVSSYSA-N 1 2 199.257 2.578 10 30 AFEELO Cc1[nH+]c2c(C)cccn2c1[C@@H](C)C#N 31916047 572445241 /nfs/dbraw/zinc/44/52/41/572445241.db2.gz COSZAYWLMJUMGB-VIFPVBQESA-N 1 2 199.257 2.578 10 30 AFEELO Cc1[nH+]c2c(C)cccn2c1[C@H](C)C#N 31916050 572445248 /nfs/dbraw/zinc/44/52/48/572445248.db2.gz COSZAYWLMJUMGB-SECBINFHSA-N 1 2 199.257 2.578 10 30 AFEELO CC[C@H](C)C[C@H](C)[NH2+][C@H](C#N)CC 83864428 572446979 /nfs/dbraw/zinc/44/69/79/572446979.db2.gz FGQHDUNGEHFJLY-DCAQKATOSA-N 1 2 182.311 2.703 10 30 AFEELO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C#N)CC 83864426 572448996 /nfs/dbraw/zinc/44/89/96/572448996.db2.gz FGQHDUNGEHFJLY-AXFHLTTASA-N 1 2 182.311 2.703 10 30 AFEELO CCC[C@H](C)/[NH+]=C/c1ccccc1O 238245441 572454347 /nfs/dbraw/zinc/45/43/47/572454347.db2.gz BHRVUDMAFXPMAK-YWEFTTLKSA-N 1 2 191.274 3.000 10 30 AFEELO CC(C)C[NH2+][C@@H](C#N)CC(C)(C)C 61840141 572456464 /nfs/dbraw/zinc/45/64/64/572456464.db2.gz OCHGTGPDYGYVQY-SNVBAGLBSA-N 1 2 182.311 2.560 10 30 AFEELO CC/C(C)=[NH+]/c1ccc(N)cc1 196783756 572458875 /nfs/dbraw/zinc/45/88/75/572458875.db2.gz XUJBIGPETUGVOG-XYOKQWHBSA-N 1 2 162.236 2.771 10 30 AFEELO C=C(C)CN(C)c1ccc([NH3+])cc1C 307338286 572460844 /nfs/dbraw/zinc/46/08/44/572460844.db2.gz QCWSAQYBKZGTSH-UHFFFAOYSA-N 1 2 190.290 2.590 10 30 AFEELO C=C(C)C[N@@H+](C)c1ccc(N)cc1C 307338286 572460847 /nfs/dbraw/zinc/46/08/47/572460847.db2.gz QCWSAQYBKZGTSH-UHFFFAOYSA-N 1 2 190.290 2.590 10 30 AFEELO C=C(C)C[N@H+](C)c1ccc(N)cc1C 307338286 572460850 /nfs/dbraw/zinc/46/08/50/572460850.db2.gz QCWSAQYBKZGTSH-UHFFFAOYSA-N 1 2 190.290 2.590 10 30 AFEELO CCCC[C@]([NH3+])(C#N)c1ccccc1 238254017 572462784 /nfs/dbraw/zinc/46/27/84/572462784.db2.gz MYPZJRVFQHDMRO-LBPRGKRZSA-N 1 2 188.274 2.554 10 30 AFEELO CCC[C@]1(C)C[C@]1(C#N)[NH2+]C(C)(C)C 238260829 572475498 /nfs/dbraw/zinc/47/54/98/572475498.db2.gz TWUXFGHPQRKIDY-VXGBXAGGSA-N 1 2 194.322 2.847 10 30 AFEELO CCC[C@]1(C)C[C@@]1(C#N)[NH2+]C(C)(C)C 238260909 572475727 /nfs/dbraw/zinc/47/57/27/572475727.db2.gz TWUXFGHPQRKIDY-NEPJUHHUSA-N 1 2 194.322 2.847 10 30 AFEELO C=C(C)CC[NH2+]c1ccc(N)cc1C 307346501 572483700 /nfs/dbraw/zinc/48/37/00/572483700.db2.gz PCUVSNXXAHVMAI-UHFFFAOYSA-N 1 2 190.290 2.955 10 30 AFEELO C=C(CC)CNc1ccc([NH3+])cc1C 307437263 572491288 /nfs/dbraw/zinc/49/12/88/572491288.db2.gz QEXXFUZHQQNOMR-UHFFFAOYSA-N 1 2 190.290 2.955 10 30 AFEELO C=C(CC)C[NH2+]c1ccc(N)cc1C 307437263 572491283 /nfs/dbraw/zinc/49/12/83/572491283.db2.gz QEXXFUZHQQNOMR-UHFFFAOYSA-N 1 2 190.290 2.955 10 30 AFEELO CC(C)[NH2+][C@@H](C#N)CC1CCCCC1 87473579 572506367 /nfs/dbraw/zinc/50/63/67/572506367.db2.gz VITXFBQCOMAKRZ-GFCCVEGCSA-N 1 2 194.322 2.847 10 30 AFEELO CCC[NH2+][C@@H](C#N)CC1CCCCC1 87473577 572508138 /nfs/dbraw/zinc/50/81/38/572508138.db2.gz DLTAGHKJBMWJFD-GFCCVEGCSA-N 1 2 194.322 2.849 10 30 AFEELO CC(C)[NH2+][C@H](C#N)CC1CCCCC1 87473578 572508271 /nfs/dbraw/zinc/50/82/71/572508271.db2.gz VITXFBQCOMAKRZ-LBPRGKRZSA-N 1 2 194.322 2.847 10 30 AFEELO CCC[NH2+][C@H](C#N)CC1CCCCC1 87473576 572508843 /nfs/dbraw/zinc/50/88/43/572508843.db2.gz DLTAGHKJBMWJFD-LBPRGKRZSA-N 1 2 194.322 2.849 10 30 AFEELO C=C(C)C[N@H+]1CC[C@@H](C)C(F)(F)C1 307435252 572516436 /nfs/dbraw/zinc/51/64/36/572516436.db2.gz KKYXHIVMVOMVKH-SECBINFHSA-N 1 2 189.249 2.540 10 30 AFEELO C=C(C)C[N@@H+]1CC[C@@H](C)C(F)(F)C1 307435252 572516439 /nfs/dbraw/zinc/51/64/39/572516439.db2.gz KKYXHIVMVOMVKH-SECBINFHSA-N 1 2 189.249 2.540 10 30 AFEELO CC[C@H](C#N)[N@@H+]1CC[C@@H](CC(C)C)C1 307785551 572516792 /nfs/dbraw/zinc/51/67/92/572516792.db2.gz YRPHZXFGLWWHMA-NWDGAFQWSA-N 1 2 194.322 2.657 10 30 AFEELO CC[C@H](C#N)[N@H+]1CC[C@@H](CC(C)C)C1 307785551 572516795 /nfs/dbraw/zinc/51/67/95/572516795.db2.gz YRPHZXFGLWWHMA-NWDGAFQWSA-N 1 2 194.322 2.657 10 30 AFEELO CC[C@@H](C#N)[N@@H+]1CC[C@H](CC(C)C)C1 307785548 572517739 /nfs/dbraw/zinc/51/77/39/572517739.db2.gz YRPHZXFGLWWHMA-NEPJUHHUSA-N 1 2 194.322 2.657 10 30 AFEELO CC[C@@H](C#N)[N@H+]1CC[C@H](CC(C)C)C1 307785548 572517744 /nfs/dbraw/zinc/51/77/44/572517744.db2.gz YRPHZXFGLWWHMA-NEPJUHHUSA-N 1 2 194.322 2.657 10 30 AFEELO CC[C@H](C#N)[N@@H+]1CC[C@H](CC(C)C)C1 307785559 572518466 /nfs/dbraw/zinc/51/84/66/572518466.db2.gz YRPHZXFGLWWHMA-VXGBXAGGSA-N 1 2 194.322 2.657 10 30 AFEELO CC[C@H](C#N)[N@H+]1CC[C@H](CC(C)C)C1 307785559 572518469 /nfs/dbraw/zinc/51/84/69/572518469.db2.gz YRPHZXFGLWWHMA-VXGBXAGGSA-N 1 2 194.322 2.657 10 30 AFEELO N#CCc1c[nH+]c(C2CCCCC2)[nH]1 74275587 572520875 /nfs/dbraw/zinc/52/08/75/572520875.db2.gz LAYSXYMQYJFVDF-UHFFFAOYSA-N 1 2 189.262 2.523 10 30 AFEELO CCC1(CC)CC[NH+]([C@@H](C)C#N)CC1 62953811 572521523 /nfs/dbraw/zinc/52/15/23/572521523.db2.gz OSACNSNWJMCNCW-NSHDSACASA-N 1 2 194.322 2.801 10 30 AFEELO C=C(C)C[N@H+]1CC[C@H](C)C(F)(F)C1 307435255 572521715 /nfs/dbraw/zinc/52/17/15/572521715.db2.gz KKYXHIVMVOMVKH-VIFPVBQESA-N 1 2 189.249 2.540 10 30 AFEELO C=C(C)C[N@@H+]1CC[C@H](C)C(F)(F)C1 307435255 572521718 /nfs/dbraw/zinc/52/17/18/572521718.db2.gz KKYXHIVMVOMVKH-VIFPVBQESA-N 1 2 189.249 2.540 10 30 AFEELO CCC[NH2+][C@@H](C#N)C1CCCCCC1 84329646 572535916 /nfs/dbraw/zinc/53/59/16/572535916.db2.gz YXVZPGQMJQRPJH-LBPRGKRZSA-N 1 2 194.322 2.849 10 30 AFEELO CCC[NH2+][C@H](C#N)C1CCCCCC1 84329648 572536908 /nfs/dbraw/zinc/53/69/08/572536908.db2.gz YXVZPGQMJQRPJH-GFCCVEGCSA-N 1 2 194.322 2.849 10 30 AFEELO CCC[NH2+][C@H](C#N)[C@@H]1CCC[C@H](C)C1 84343704 572538619 /nfs/dbraw/zinc/53/86/19/572538619.db2.gz QVGFOQJLYJKDRF-QJPTWQEYSA-N 1 2 194.322 2.704 10 30 AFEELO CCC[NH2+][C@H](C#N)[C@H]1CCC[C@H](C)C1 84343709 572539414 /nfs/dbraw/zinc/53/94/14/572539414.db2.gz QVGFOQJLYJKDRF-SDDRHHMPSA-N 1 2 194.322 2.704 10 30 AFEELO CCC[NH2+][C@@H](C#N)C1CCC(C)CC1 84339559 572540172 /nfs/dbraw/zinc/54/01/72/572540172.db2.gz SYCJQBGZDGAHGD-MCIGGMRASA-N 1 2 194.322 2.704 10 30 AFEELO CC[C@H](C#N)[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C 69675657 572557776 /nfs/dbraw/zinc/55/77/76/572557776.db2.gz SRXNAFMJHYHFNR-NNYUYHANSA-N 1 2 194.322 2.703 10 30 AFEELO C=CC[N@@H+]1CCC(Cl)=C(Cl)C1 306275510 572575597 /nfs/dbraw/zinc/57/55/97/572575597.db2.gz GJWPKLOUDZJZIT-UHFFFAOYSA-N 1 2 192.089 2.567 10 30 AFEELO C=CC[N@H+]1CCC(Cl)=C(Cl)C1 306275510 572575604 /nfs/dbraw/zinc/57/56/04/572575604.db2.gz GJWPKLOUDZJZIT-UHFFFAOYSA-N 1 2 192.089 2.567 10 30 AFEELO CC(C)C(C)(C)C[N@H+](C)C(C)(C)C#N 713341090 572578268 /nfs/dbraw/zinc/57/82/68/572578268.db2.gz AJTBBOBWUISIGX-UHFFFAOYSA-N 1 2 196.338 2.903 10 30 AFEELO CC(C)C(C)(C)C[N@@H+](C)C(C)(C)C#N 713341090 572578275 /nfs/dbraw/zinc/57/82/75/572578275.db2.gz AJTBBOBWUISIGX-UHFFFAOYSA-N 1 2 196.338 2.903 10 30 AFEELO C=C[C@H](C)Nc1cc2cc[nH]c2c[nH+]1 306271999 572579961 /nfs/dbraw/zinc/57/99/61/572579961.db2.gz WOLTWHOUMLUFSK-QMMMGPOBSA-N 1 2 187.246 2.549 10 30 AFEELO Cc1cccc2c1[nH+]cn2[C@H](C)CC#N 95922570 572591040 /nfs/dbraw/zinc/59/10/40/572591040.db2.gz KMJSDWIBDOJONE-SNVBAGLBSA-N 1 2 199.257 2.819 10 30 AFEELO Cc1cccc2c1[nH+]cn2[C@@H](C)CC#N 95922569 572591150 /nfs/dbraw/zinc/59/11/50/572591150.db2.gz KMJSDWIBDOJONE-JTQLQIEISA-N 1 2 199.257 2.819 10 30 AFEELO C=C[C@@H](C)Nc1cc2cc[nH]c2c[nH+]1 306271998 572593282 /nfs/dbraw/zinc/59/32/82/572593282.db2.gz WOLTWHOUMLUFSK-MRVPVSSYSA-N 1 2 187.246 2.549 10 30 AFEELO C=CCC[C@H]([NH2+]N)[C@@H](CC)CC(C)C 308075430 572613313 /nfs/dbraw/zinc/61/33/13/572613313.db2.gz UZLFPQJCKKHMPO-RYUDHWBXSA-N 1 2 198.354 2.857 10 30 AFEELO C=C(C)C[C@@H]([NH2+]N)[C@H](CC)CC(C)C 308073976 572611146 /nfs/dbraw/zinc/61/11/46/572611146.db2.gz TXUBITMKLCLLDF-VXGBXAGGSA-N 1 2 198.354 2.857 10 30 AFEELO C=C(C)C[C@H]([NH2+]N)[C@H](CC)CC(C)C 308073971 572611152 /nfs/dbraw/zinc/61/11/52/572611152.db2.gz TXUBITMKLCLLDF-NEPJUHHUSA-N 1 2 198.354 2.857 10 30 AFEELO C=C(C)C[C@@H]([NH2+]N)[C@@H](CC)CC(C)C 308073972 572611426 /nfs/dbraw/zinc/61/14/26/572611426.db2.gz TXUBITMKLCLLDF-NWDGAFQWSA-N 1 2 198.354 2.857 10 30 AFEELO C=C(C)C[C@H]([NH2+]N)[C@@H](CC)CC(C)C 308073974 572611461 /nfs/dbraw/zinc/61/14/61/572611461.db2.gz TXUBITMKLCLLDF-RYUDHWBXSA-N 1 2 198.354 2.857 10 30 AFEELO C=CCC[C@@H]([NH2+]N)[C@H](CC)CC(C)C 308075432 572613333 /nfs/dbraw/zinc/61/33/33/572613333.db2.gz UZLFPQJCKKHMPO-VXGBXAGGSA-N 1 2 198.354 2.857 10 30 AFEELO C=CCC[C@@H]([NH2+]N)[C@@H](CC)CC(C)C 308075427 572614502 /nfs/dbraw/zinc/61/45/02/572614502.db2.gz UZLFPQJCKKHMPO-NWDGAFQWSA-N 1 2 198.354 2.857 10 30 AFEELO C=CCC[C@H]([NH2+]N)[C@H](CC)CC(C)C 308075426 572615175 /nfs/dbraw/zinc/61/51/75/572615175.db2.gz UZLFPQJCKKHMPO-NEPJUHHUSA-N 1 2 198.354 2.857 10 30 AFEELO C=CCCC1=CSC2=[NH+]C[C@H](C)N12 306306955 572615605 /nfs/dbraw/zinc/61/56/05/572615605.db2.gz JMBRPVRVJRMNRJ-QMMMGPOBSA-N 1 2 194.303 2.601 10 30 AFEELO C=CCCC1=CSC2=[NH+]C[C@@H](C)N12 306306952 572619148 /nfs/dbraw/zinc/61/91/48/572619148.db2.gz JMBRPVRVJRMNRJ-MRVPVSSYSA-N 1 2 194.303 2.601 10 30 AFEELO C/[NH+]=C\c1ccc2cccc(C)c2n1 255989076 572622288 /nfs/dbraw/zinc/62/22/88/572622288.db2.gz MZDXJTWPZZNMKX-JYRVWZFOSA-N 1 2 184.242 2.592 10 30 AFEELO CCCCC[C@](C)(C#N)[NH2+]CC1CC1 87648558 572642848 /nfs/dbraw/zinc/64/28/48/572642848.db2.gz YOOYKZROZPQMRS-GFCCVEGCSA-N 1 2 194.322 2.849 10 30 AFEELO C=C(CC)CSc1ccc(N)[nH+]c1 85059396 572643408 /nfs/dbraw/zinc/64/34/08/572643408.db2.gz ATKDXTVHOABSHX-UHFFFAOYSA-N 1 2 194.303 2.722 10 30 AFEELO CCCCC[C@](C)(C#N)[NH2+]C1CC1 87648446 572643752 /nfs/dbraw/zinc/64/37/52/572643752.db2.gz YGZZVENVRZGHHY-LLVKDONJSA-N 1 2 180.295 2.601 10 30 AFEELO CCCCC[C@@](C)(C#N)[NH2+]C(C)C 87648441 572643873 /nfs/dbraw/zinc/64/38/73/572643873.db2.gz RMBOINVPTBRMCA-NSHDSACASA-N 1 2 182.311 2.847 10 30 AFEELO CCCCC[C@](C)(C#N)[NH2+]CCC 87648440 572646079 /nfs/dbraw/zinc/64/60/79/572646079.db2.gz HDESSBYQVVDIQX-LLVKDONJSA-N 1 2 182.311 2.849 10 30 AFEELO CCCCC[C@@](C)(C#N)[NH2+]CC1CC1 87648557 572644101 /nfs/dbraw/zinc/64/41/01/572644101.db2.gz YOOYKZROZPQMRS-LBPRGKRZSA-N 1 2 194.322 2.849 10 30 AFEELO CCCCC[C@@](C)(C#N)[NH2+]C1CC1 87648445 572644292 /nfs/dbraw/zinc/64/42/92/572644292.db2.gz YGZZVENVRZGHHY-NSHDSACASA-N 1 2 180.295 2.601 10 30 AFEELO CCCCC[C@@](C)(C#N)[NH+]1CCCC1 87649553 572644384 /nfs/dbraw/zinc/64/43/84/572644384.db2.gz PLGSJPLEAWAWMJ-LBPRGKRZSA-N 1 2 194.322 2.945 10 30 AFEELO CCCCC[C@](C)(C#N)[NH+]1CCCC1 87649554 572645451 /nfs/dbraw/zinc/64/54/51/572645451.db2.gz PLGSJPLEAWAWMJ-GFCCVEGCSA-N 1 2 194.322 2.945 10 30 AFEELO CCCCC[C@](C)(C#N)[NH2+]C(C)C 87648442 572645866 /nfs/dbraw/zinc/64/58/66/572645866.db2.gz RMBOINVPTBRMCA-LLVKDONJSA-N 1 2 182.311 2.847 10 30 AFEELO CCCCC[C@@](C)(C#N)[NH2+]CCC 87648439 572646127 /nfs/dbraw/zinc/64/61/27/572646127.db2.gz HDESSBYQVVDIQX-NSHDSACASA-N 1 2 182.311 2.849 10 30 AFEELO C=CCC[N@H+]1CC[C@H](C)C(F)(F)C1 306574109 572676347 /nfs/dbraw/zinc/67/63/47/572676347.db2.gz QWUSANIHZAQQQU-VIFPVBQESA-N 1 2 189.249 2.540 10 30 AFEELO C=CCC[N@@H+]1CC[C@H](C)C(F)(F)C1 306574109 572676351 /nfs/dbraw/zinc/67/63/51/572676351.db2.gz QWUSANIHZAQQQU-VIFPVBQESA-N 1 2 189.249 2.540 10 30 AFEELO C=CCC[N@H+]1CC[C@@H](C)C(F)(F)C1 306574108 572679542 /nfs/dbraw/zinc/67/95/42/572679542.db2.gz QWUSANIHZAQQQU-SECBINFHSA-N 1 2 189.249 2.540 10 30 AFEELO C=CCC[N@@H+]1CC[C@@H](C)C(F)(F)C1 306574108 572679546 /nfs/dbraw/zinc/67/95/46/572679546.db2.gz QWUSANIHZAQQQU-SECBINFHSA-N 1 2 189.249 2.540 10 30 AFEELO CCc1ccc(/C(=[NH+]\C)SC)cc1 714531363 572690369 /nfs/dbraw/zinc/69/03/69/572690369.db2.gz BGKOKCDVLQBVFQ-VAWYXSNFSA-N 1 2 193.315 2.988 10 30 AFEELO C/[NH+]=C(/SC)c1ccccc1C 714531679 572693935 /nfs/dbraw/zinc/69/39/35/572693935.db2.gz BXURJLNEZMRERN-ZHACJKMWSA-N 1 2 179.288 2.734 10 30 AFEELO CC1CCC(CC[NH2+][C@@H](C)C#N)CC1 70532584 572698860 /nfs/dbraw/zinc/69/88/60/572698860.db2.gz BKRZMMAMHPAMTI-CXQJBGSLSA-N 1 2 194.322 2.704 10 30 AFEELO CC[C@H]1CCCC[C@]1(C#N)[NH2+]C1CC1 70568455 572703193 /nfs/dbraw/zinc/70/31/93/572703193.db2.gz DZVMSUUWOILPOM-CMPLNLGQSA-N 1 2 192.306 2.601 10 30 AFEELO CC[C@@H]1CCCC[C@@]1(C#N)[NH2+]C1CC1 70568452 572706124 /nfs/dbraw/zinc/70/61/24/572706124.db2.gz DZVMSUUWOILPOM-PWSUYJOCSA-N 1 2 192.306 2.601 10 30 AFEELO CC(C)[C@@H]1CCC[N@@H+]([C@@H](C)C#N)CC1 70613481 572712650 /nfs/dbraw/zinc/71/26/50/572712650.db2.gz GBEPCUZCORUWOE-NWDGAFQWSA-N 1 2 194.322 2.657 10 30 AFEELO CC(C)[C@@H]1CCC[N@H+]([C@@H](C)C#N)CC1 70613481 572712656 /nfs/dbraw/zinc/71/26/56/572712656.db2.gz GBEPCUZCORUWOE-NWDGAFQWSA-N 1 2 194.322 2.657 10 30 AFEELO CC(C)[C@H]1CCC[N@@H+]([C@@H](C)C#N)CC1 70613482 572713189 /nfs/dbraw/zinc/71/31/89/572713189.db2.gz GBEPCUZCORUWOE-RYUDHWBXSA-N 1 2 194.322 2.657 10 30 AFEELO CC(C)[C@H]1CCC[N@H+]([C@@H](C)C#N)CC1 70613482 572713194 /nfs/dbraw/zinc/71/31/94/572713194.db2.gz GBEPCUZCORUWOE-RYUDHWBXSA-N 1 2 194.322 2.657 10 30 AFEELO CCC[NH2+]C1(C#N)CCC(C)(C)CC1 70623223 572713325 /nfs/dbraw/zinc/71/33/25/572713325.db2.gz GPWRPPQUAMFHOF-UHFFFAOYSA-N 1 2 194.322 2.849 10 30 AFEELO CC1(C)CCC(C#N)([NH2+]C2CC2)CC1 70623225 572713987 /nfs/dbraw/zinc/71/39/87/572713987.db2.gz DWPRHXLMXPPICN-UHFFFAOYSA-N 1 2 192.306 2.601 10 30 AFEELO C[C@@H]1CC[C@](C#N)([NH2+]C2CCCC2)C1 70644712 572717373 /nfs/dbraw/zinc/71/73/73/572717373.db2.gz DYWWTDOVCOJOIZ-PWSUYJOCSA-N 1 2 192.306 2.601 10 30 AFEELO C[C@@H](CC[NH2+]CC#N)CC(C)(C)C 238439288 572717605 /nfs/dbraw/zinc/71/76/05/572717605.db2.gz BIYLAVUUIGSCOW-JTQLQIEISA-N 1 2 182.311 2.562 10 30 AFEELO C[C@H]1CC[C@](C#N)([NH2+]C2CCCC2)C1 70644713 572718208 /nfs/dbraw/zinc/71/82/08/572718208.db2.gz DYWWTDOVCOJOIZ-JQWIXIFHSA-N 1 2 192.306 2.601 10 30 AFEELO C[C@H]1CC[C@@](C#N)([NH2+]C2CCCC2)C1 70644711 572718313 /nfs/dbraw/zinc/71/83/13/572718313.db2.gz DYWWTDOVCOJOIZ-CMPLNLGQSA-N 1 2 192.306 2.601 10 30 AFEELO C[C@@H]1CC[C@@](C#N)([NH2+]C2CCCC2)C1 70644710 572719589 /nfs/dbraw/zinc/71/95/89/572719589.db2.gz DYWWTDOVCOJOIZ-ZYHUDNBSSA-N 1 2 192.306 2.601 10 30 AFEELO CC(C)(C)CC[N@@H+]1CCCC[C@@H]1C#N 70662693 572723749 /nfs/dbraw/zinc/72/37/49/572723749.db2.gz IJDXNJGPVFBIBQ-LLVKDONJSA-N 1 2 194.322 2.801 10 30 AFEELO CC(C)(C)CC[N@H+]1CCCC[C@@H]1C#N 70662693 572723754 /nfs/dbraw/zinc/72/37/54/572723754.db2.gz IJDXNJGPVFBIBQ-LLVKDONJSA-N 1 2 194.322 2.801 10 30 AFEELO CC(C)(C)CC[N@@H+]1CCCC[C@H]1C#N 70662694 572724067 /nfs/dbraw/zinc/72/40/67/572724067.db2.gz IJDXNJGPVFBIBQ-NSHDSACASA-N 1 2 194.322 2.801 10 30 AFEELO CC(C)(C)CC[N@H+]1CCCC[C@H]1C#N 70662694 572724073 /nfs/dbraw/zinc/72/40/73/572724073.db2.gz IJDXNJGPVFBIBQ-NSHDSACASA-N 1 2 194.322 2.801 10 30 AFEELO C=C(C)C[C@H](O)c1cc(C)cc(C)[nH+]1 306671386 572736442 /nfs/dbraw/zinc/73/64/42/572736442.db2.gz YRFMJFQVEDKOAY-LBPRGKRZSA-N 1 2 191.274 2.698 10 30 AFEELO CCC(C)=[NH+]c1ccc(N)cc1 307899986 572742681 /nfs/dbraw/zinc/74/26/81/572742681.db2.gz XUJBIGPETUGVOG-UHFFFAOYSA-N 1 2 162.236 2.771 10 30 AFEELO C/C(=C/Cl)C[N@H+](CCC#N)C1CC1 308114162 572757263 /nfs/dbraw/zinc/75/72/63/572757263.db2.gz UGWDCEPISQLZIS-CLFYSBASSA-N 1 2 198.697 2.507 10 30 AFEELO C/C(=C/Cl)C[N@@H+](CCC#N)C1CC1 308114162 572757266 /nfs/dbraw/zinc/75/72/66/572757266.db2.gz UGWDCEPISQLZIS-CLFYSBASSA-N 1 2 198.697 2.507 10 30 AFEELO [N-]=[N+]=Nc1ccc2[nH+]c3n(c2c1)CCC3 238539179 572783239 /nfs/dbraw/zinc/78/32/39/572783239.db2.gz NJUDIRNSGQXTBZ-UHFFFAOYSA-N 1 2 199.217 2.924 10 30 AFEELO C#CCSCc1ccc(C)[nH+]c1C 307710515 572800602 /nfs/dbraw/zinc/80/06/02/572800602.db2.gz PVMNTQIDGSAQDD-UHFFFAOYSA-N 1 2 191.299 2.565 10 30 AFEELO C=CCCCCC[C@H](O)c1[nH]cc[nH+]1 236513031 572804663 /nfs/dbraw/zinc/80/46/63/572804663.db2.gz SECVYTWQWADRQF-JTQLQIEISA-N 1 2 194.278 2.580 10 30 AFEELO C=CC[N@H+](CC(F)F)[C@@H](C)C(C)C 308138678 572811036 /nfs/dbraw/zinc/81/10/36/572811036.db2.gz HAJXELNIYKAABB-VIFPVBQESA-N 1 2 191.265 2.784 10 30 AFEELO C=CC[N@@H+](CC(F)F)[C@@H](C)C(C)C 308138678 572811040 /nfs/dbraw/zinc/81/10/40/572811040.db2.gz HAJXELNIYKAABB-VIFPVBQESA-N 1 2 191.265 2.784 10 30 AFEELO C=CC[N@H+](CC(F)F)[C@H](C)C(C)C 308138677 572813279 /nfs/dbraw/zinc/81/32/79/572813279.db2.gz HAJXELNIYKAABB-SECBINFHSA-N 1 2 191.265 2.784 10 30 AFEELO C=CC[N@@H+](CC(F)F)[C@H](C)C(C)C 308138677 572813284 /nfs/dbraw/zinc/81/32/84/572813284.db2.gz HAJXELNIYKAABB-SECBINFHSA-N 1 2 191.265 2.784 10 30 AFEELO C=CCCCCC[C@@H](O)c1[nH]cc[nH+]1 236550473 572829257 /nfs/dbraw/zinc/82/92/57/572829257.db2.gz SECVYTWQWADRQF-SNVBAGLBSA-N 1 2 194.278 2.580 10 30 AFEELO CC[C@H](C#N)[N@@H+]1C[C@H]2CCCCC[C@H]21 687932861 572833756 /nfs/dbraw/zinc/83/37/56/572833756.db2.gz NDTFIXNUYPSXPG-IJLUTSLNSA-N 1 2 192.306 2.553 10 30 AFEELO CC[C@H](C#N)[N@H+]1C[C@H]2CCCCC[C@H]21 687932861 572833759 /nfs/dbraw/zinc/83/37/59/572833759.db2.gz NDTFIXNUYPSXPG-IJLUTSLNSA-N 1 2 192.306 2.553 10 30 AFEELO CC[C@H](C#N)[N@@H+]1C[C@@H]2CCCCC[C@H]21 687932865 572834527 /nfs/dbraw/zinc/83/45/27/572834527.db2.gz NDTFIXNUYPSXPG-QJPTWQEYSA-N 1 2 192.306 2.553 10 30 AFEELO CC[C@H](C#N)[N@H+]1C[C@@H]2CCCCC[C@H]21 687932865 572834530 /nfs/dbraw/zinc/83/45/30/572834530.db2.gz NDTFIXNUYPSXPG-QJPTWQEYSA-N 1 2 192.306 2.553 10 30 AFEELO CC[C@H](C#N)[N@@H+]1C[C@H]2CCCCC[C@@H]21 687932868 572834732 /nfs/dbraw/zinc/83/47/32/572834732.db2.gz NDTFIXNUYPSXPG-UTUOFQBUSA-N 1 2 192.306 2.553 10 30 AFEELO CC[C@H](C#N)[N@H+]1C[C@H]2CCCCC[C@@H]21 687932868 572834737 /nfs/dbraw/zinc/83/47/37/572834737.db2.gz NDTFIXNUYPSXPG-UTUOFQBUSA-N 1 2 192.306 2.553 10 30 AFEELO CC[C@H](C#N)[N@@H+]1C[C@@H]2CCCCC[C@@H]21 687932866 572835925 /nfs/dbraw/zinc/83/59/25/572835925.db2.gz NDTFIXNUYPSXPG-TUAOUCFPSA-N 1 2 192.306 2.553 10 30 AFEELO CC[C@H](C#N)[N@H+]1C[C@@H]2CCCCC[C@@H]21 687932866 572835928 /nfs/dbraw/zinc/83/59/28/572835928.db2.gz NDTFIXNUYPSXPG-TUAOUCFPSA-N 1 2 192.306 2.553 10 30 AFEELO CCCC[N@H+](C)[C@H](C#N)CC(C)C 71499195 572836288 /nfs/dbraw/zinc/83/62/88/572836288.db2.gz OOWAXNJHKBOAOK-NSHDSACASA-N 1 2 182.311 2.657 10 30 AFEELO CCCC[N@@H+](C)[C@H](C#N)CC(C)C 71499195 572836291 /nfs/dbraw/zinc/83/62/91/572836291.db2.gz OOWAXNJHKBOAOK-NSHDSACASA-N 1 2 182.311 2.657 10 30 AFEELO CCCC[N@H+](C)[C@@H](C#N)CC(C)C 71499197 572837138 /nfs/dbraw/zinc/83/71/38/572837138.db2.gz OOWAXNJHKBOAOK-LLVKDONJSA-N 1 2 182.311 2.657 10 30 AFEELO CCCC[N@@H+](C)[C@@H](C#N)CC(C)C 71499197 572837139 /nfs/dbraw/zinc/83/71/39/572837139.db2.gz OOWAXNJHKBOAOK-LLVKDONJSA-N 1 2 182.311 2.657 10 30 AFEELO CC(C)C[C@H](C#N)[NH+]1CCC(C)CC1 71506921 572841742 /nfs/dbraw/zinc/84/17/42/572841742.db2.gz IIPPPOQPBPQRBW-GFCCVEGCSA-N 1 2 194.322 2.657 10 30 AFEELO CC(C)C[C@@H](C#N)[NH+]1CCC(C)CC1 71506920 572841983 /nfs/dbraw/zinc/84/19/83/572841983.db2.gz IIPPPOQPBPQRBW-LBPRGKRZSA-N 1 2 194.322 2.657 10 30 AFEELO C=CCc1c(N)[nH+]cc2ccccc12 307013715 572863594 /nfs/dbraw/zinc/86/35/94/572863594.db2.gz RRFQXHCQPNMCIY-UHFFFAOYSA-N 1 2 184.242 2.546 10 30 AFEELO CC(C)[C@@H](C)C[C@@H](C#N)[NH+]1CCCC1 75597192 572895780 /nfs/dbraw/zinc/89/57/80/572895780.db2.gz GRIIICNKRZJFRH-RYUDHWBXSA-N 1 2 194.322 2.657 10 30 AFEELO CC(C)[C@@H](C)C[C@H](C#N)[NH+]1CCCC1 75597200 572896224 /nfs/dbraw/zinc/89/62/24/572896224.db2.gz GRIIICNKRZJFRH-NWDGAFQWSA-N 1 2 194.322 2.657 10 30 AFEELO C=C(Cl)C[N@@H+](CC)Cc1ccco1 308175135 572898179 /nfs/dbraw/zinc/89/81/79/572898179.db2.gz CZILEELREISXSJ-UHFFFAOYSA-N 1 2 199.681 2.854 10 30 AFEELO C=C(Cl)C[N@H+](CC)Cc1ccco1 308175135 572898182 /nfs/dbraw/zinc/89/81/82/572898182.db2.gz CZILEELREISXSJ-UHFFFAOYSA-N 1 2 199.681 2.854 10 30 AFEELO CC[C@@H](C#N)[NH2+]CC1C(C)(C)C1(C)C 86239956 572898226 /nfs/dbraw/zinc/89/82/26/572898226.db2.gz MFIRMIAZJWSUJW-VIFPVBQESA-N 1 2 194.322 2.560 10 30 AFEELO CC[C@H](C#N)[NH2+]CC1C(C)(C)C1(C)C 86239957 572900079 /nfs/dbraw/zinc/90/00/79/572900079.db2.gz MFIRMIAZJWSUJW-SECBINFHSA-N 1 2 194.322 2.560 10 30 AFEELO C=CCSCc1ccc(NC)[nH+]c1 308178524 572904834 /nfs/dbraw/zinc/90/48/34/572904834.db2.gz GHUHCYKXSQJBMA-UHFFFAOYSA-N 1 2 194.303 2.543 10 30 AFEELO CCC[NH2+][C@@H](C#N)[C@@H](C)C(C)(C)C 308187869 572912792 /nfs/dbraw/zinc/91/27/92/572912792.db2.gz LDQHDFNZQHRSHA-ZJUUUORDSA-N 1 2 182.311 2.560 10 30 AFEELO CCC[NH2+][C@H](C#N)[C@@H](C)C(C)(C)C 308187866 572914211 /nfs/dbraw/zinc/91/42/11/572914211.db2.gz LDQHDFNZQHRSHA-NXEZZACHSA-N 1 2 182.311 2.560 10 30 AFEELO C=C(CC)C[N@@H+]1CCC[C@@H]1C(F)F 308200606 572928420 /nfs/dbraw/zinc/92/84/20/572928420.db2.gz UTKVHXGDFSCUOT-SECBINFHSA-N 1 2 189.249 2.682 10 30 AFEELO C=C(CC)C[N@H+]1CCC[C@@H]1C(F)F 308200606 572928424 /nfs/dbraw/zinc/92/84/24/572928424.db2.gz UTKVHXGDFSCUOT-SECBINFHSA-N 1 2 189.249 2.682 10 30 AFEELO CCCCC[C@]1(C#N)CCCC[NH2+]1 308203506 572932099 /nfs/dbraw/zinc/93/20/99/572932099.db2.gz GHMPRDLQWHYXBX-LLVKDONJSA-N 1 2 180.295 2.603 10 30 AFEELO CC[C@](C)(C#N)[NH2+][C@H](C)CC(C)C 308195735 572937412 /nfs/dbraw/zinc/93/74/12/572937412.db2.gz QVUYPNWJDZPLFH-GHMZBOCLSA-N 1 2 182.311 2.703 10 30 AFEELO CC[C@@](C)(C#N)[NH2+][C@@H](C)CC(C)C 308195737 572938064 /nfs/dbraw/zinc/93/80/64/572938064.db2.gz QVUYPNWJDZPLFH-QWRGUYRKSA-N 1 2 182.311 2.703 10 30 AFEELO CC[C@@](C)(C#N)[NH2+][C@H](C)CC(C)C 308195736 572938690 /nfs/dbraw/zinc/93/86/90/572938690.db2.gz QVUYPNWJDZPLFH-MNOVXSKESA-N 1 2 182.311 2.703 10 30 AFEELO CC[C@](C)(C#N)[NH2+][C@@H](C)CC(C)C 308195739 572939073 /nfs/dbraw/zinc/93/90/73/572939073.db2.gz QVUYPNWJDZPLFH-WDEREUQCSA-N 1 2 182.311 2.703 10 30 AFEELO CCCC[C@@H](C)[N@H+](C)[C@H](C#N)CC 308208057 572945623 /nfs/dbraw/zinc/94/56/23/572945623.db2.gz UYYUHCCZTFTJGG-MNOVXSKESA-N 1 2 182.311 2.799 10 30 AFEELO CCCC[C@@H](C)[N@@H+](C)[C@H](C#N)CC 308208057 572945625 /nfs/dbraw/zinc/94/56/25/572945625.db2.gz UYYUHCCZTFTJGG-MNOVXSKESA-N 1 2 182.311 2.799 10 30 AFEELO CCCC[C@@H](C)[N@H+](C)[C@@H](C#N)CC 308208056 572947006 /nfs/dbraw/zinc/94/70/06/572947006.db2.gz UYYUHCCZTFTJGG-GHMZBOCLSA-N 1 2 182.311 2.799 10 30 AFEELO CCCC[C@@H](C)[N@@H+](C)[C@@H](C#N)CC 308208056 572947010 /nfs/dbraw/zinc/94/70/10/572947010.db2.gz UYYUHCCZTFTJGG-GHMZBOCLSA-N 1 2 182.311 2.799 10 30 AFEELO CCCC[C@H](C)[N@H+](C)[C@@H](C#N)CC 308208059 572947320 /nfs/dbraw/zinc/94/73/20/572947320.db2.gz UYYUHCCZTFTJGG-WDEREUQCSA-N 1 2 182.311 2.799 10 30 AFEELO CCCC[C@H](C)[N@@H+](C)[C@@H](C#N)CC 308208059 572947322 /nfs/dbraw/zinc/94/73/22/572947322.db2.gz UYYUHCCZTFTJGG-WDEREUQCSA-N 1 2 182.311 2.799 10 30 AFEELO CC(C)CC[NH2+][C@H](C#N)CC(C)C 58520115 572952371 /nfs/dbraw/zinc/95/23/71/572952371.db2.gz VXDYFDRJJWCPGY-NSHDSACASA-N 1 2 182.311 2.560 10 30 AFEELO CC(C)CC[NH2+][C@@H](C#N)CC(C)C 58520116 572952733 /nfs/dbraw/zinc/95/27/33/572952733.db2.gz VXDYFDRJJWCPGY-LLVKDONJSA-N 1 2 182.311 2.560 10 30 AFEELO CCCCC(Nc1ccccc1)=[NH+]N 58565969 572954088 /nfs/dbraw/zinc/95/40/88/572954088.db2.gz LLFIANUKMCZQDT-UHFFFAOYSA-N 1 2 191.278 2.561 10 30 AFEELO CC(C)[NH2+][C@@H](C#N)CC1=CCCCC1 238154729 572955389 /nfs/dbraw/zinc/95/53/89/572955389.db2.gz BGNBRCCKONCKOU-GFCCVEGCSA-N 1 2 192.306 2.767 10 30 AFEELO Cc1[nH+]c2ccc(C#N)cc2n1C(C)C 76210184 572962619 /nfs/dbraw/zinc/96/26/19/572962619.db2.gz LXTBGYZJOAXBEY-UHFFFAOYSA-N 1 2 199.257 2.797 10 30 AFEELO C=C/C=C\CC[C@]1(C#N)CCCC[NH2+]1 713665148 572974262 /nfs/dbraw/zinc/97/42/62/572974262.db2.gz QMCVSUYSTOAASR-VSQXVHSFSA-N 1 2 190.290 2.545 10 30 AFEELO C=C/C=C/CC[C@]1(C#N)CCCC[NH2+]1 713665132 572974448 /nfs/dbraw/zinc/97/44/48/572974448.db2.gz QMCVSUYSTOAASR-AAOUONPWSA-N 1 2 190.290 2.545 10 30 AFEELO C=CCC[C@@H]([NH2+]N)C(C(C)C)C(C)C 308474405 573010445 /nfs/dbraw/zinc/01/04/45/573010445.db2.gz KNKCDVGQWKHAOD-LLVKDONJSA-N 1 2 198.354 2.713 10 30 AFEELO C=CCC[C@H]([NH2+]N)C(C(C)C)C(C)C 308474406 573012125 /nfs/dbraw/zinc/01/21/25/573012125.db2.gz KNKCDVGQWKHAOD-NSHDSACASA-N 1 2 198.354 2.713 10 30 AFEELO CC[C@@H](C#N)[NH2+]C[C@H](CC)C(C)C 308223864 573013387 /nfs/dbraw/zinc/01/33/87/573013387.db2.gz MHEHXYRTNZBPLR-QWRGUYRKSA-N 1 2 182.311 2.560 10 30 AFEELO CCC(CC)(CC)C[N@H+](C)CC#N 308235895 573034414 /nfs/dbraw/zinc/03/44/14/573034414.db2.gz QWABCDDZJVZLGR-UHFFFAOYSA-N 1 2 182.311 2.658 10 30 AFEELO CCC(CC)(CC)C[N@@H+](C)CC#N 308235895 573034417 /nfs/dbraw/zinc/03/44/17/573034417.db2.gz QWABCDDZJVZLGR-UHFFFAOYSA-N 1 2 182.311 2.658 10 30 AFEELO C=CCCCCCC[NH2+][C@H](C)C#N 308233237 573038055 /nfs/dbraw/zinc/03/80/55/573038055.db2.gz UTMULQKKOGURDR-LLVKDONJSA-N 1 2 180.295 2.625 10 30 AFEELO C=CCC[C@@H](CC)Nc1c[nH]c[nH+]1 308248195 573043538 /nfs/dbraw/zinc/04/35/38/573043538.db2.gz YYSVVDDTKMTFDA-SECBINFHSA-N 1 2 179.267 2.566 10 30 AFEELO C=CCC[C@H](CC)Nc1c[nH]c[nH+]1 308248196 573043794 /nfs/dbraw/zinc/04/37/94/573043794.db2.gz YYSVVDDTKMTFDA-VIFPVBQESA-N 1 2 179.267 2.566 10 30 AFEELO CCC[C@@](C#N)(CC)[NH2+][C@@H](C)CC 233318299 573054025 /nfs/dbraw/zinc/05/40/25/573054025.db2.gz LHJTUUBBNIPDFR-WDEREUQCSA-N 1 2 182.311 2.847 10 30 AFEELO CCC[NH2+][C@@H](C#N)C(C(C)C)C(C)C 308494484 573064715 /nfs/dbraw/zinc/06/47/15/573064715.db2.gz SKFVLXSPPPIQSX-NSHDSACASA-N 1 2 196.338 2.806 10 30 AFEELO CCC[NH2+][C@H](C#N)C(C(C)C)C(C)C 308494483 573065234 /nfs/dbraw/zinc/06/52/34/573065234.db2.gz SKFVLXSPPPIQSX-LLVKDONJSA-N 1 2 196.338 2.806 10 30 AFEELO C[C@H]1CC(C)(C)CC[C@@]1(C#N)[NH+](C)C 88132665 573073297 /nfs/dbraw/zinc/07/32/97/573073297.db2.gz AEPATZDUPDSCNX-JQWIXIFHSA-N 1 2 194.322 2.657 10 30 AFEELO CC[NH2+][C@]1(C#N)CCC(C)(C)C[C@@H]1C 88131989 573075097 /nfs/dbraw/zinc/07/50/97/573075097.db2.gz DAOMARYYXNDMIG-JQWIXIFHSA-N 1 2 194.322 2.704 10 30 AFEELO C[C@@H]1CC(C)(C)CC[C@]1(C#N)[NH+](C)C 88132666 573075196 /nfs/dbraw/zinc/07/51/96/573075196.db2.gz AEPATZDUPDSCNX-ZYHUDNBSSA-N 1 2 194.322 2.657 10 30 AFEELO CC[NH2+][C@@]1(C#N)CCC(C)(C)C[C@@H]1C 88131990 573075443 /nfs/dbraw/zinc/07/54/43/573075443.db2.gz DAOMARYYXNDMIG-CMPLNLGQSA-N 1 2 194.322 2.704 10 30 AFEELO C[C@H]1CC(C)(C)CC[C@]1(C#N)[NH+](C)C 88132669 573076077 /nfs/dbraw/zinc/07/60/77/573076077.db2.gz AEPATZDUPDSCNX-CMPLNLGQSA-N 1 2 194.322 2.657 10 30 AFEELO CC[NH2+][C@]1(C#N)CCC(C)(C)C[C@H]1C 88131991 573076371 /nfs/dbraw/zinc/07/63/71/573076371.db2.gz DAOMARYYXNDMIG-PWSUYJOCSA-N 1 2 194.322 2.704 10 30 AFEELO C[C@@H]1CC(C)(C)CC[C@@]1(C#N)[NH+](C)C 88132664 573076535 /nfs/dbraw/zinc/07/65/35/573076535.db2.gz AEPATZDUPDSCNX-PWSUYJOCSA-N 1 2 194.322 2.657 10 30 AFEELO CC[NH2+][C@@]1(C#N)CCC(C)(C)C[C@H]1C 88131992 573077024 /nfs/dbraw/zinc/07/70/24/573077024.db2.gz DAOMARYYXNDMIG-ZYHUDNBSSA-N 1 2 194.322 2.704 10 30 AFEELO C=C(C)C[N@@H+](C)[C@@H](C)c1cscn1 308250976 573078848 /nfs/dbraw/zinc/07/88/48/573078848.db2.gz HHVCDPZUCJVYHT-VIFPVBQESA-N 1 2 196.319 2.712 10 30 AFEELO C=C(C)C[N@H+](C)[C@@H](C)c1cscn1 308250976 573078856 /nfs/dbraw/zinc/07/88/56/573078856.db2.gz HHVCDPZUCJVYHT-VIFPVBQESA-N 1 2 196.319 2.712 10 30 AFEELO C=C(C)C[N@@H+](C)[C@H](C)c1cscn1 308250975 573079249 /nfs/dbraw/zinc/07/92/49/573079249.db2.gz HHVCDPZUCJVYHT-SECBINFHSA-N 1 2 196.319 2.712 10 30 AFEELO C=C(C)C[N@H+](C)[C@H](C)c1cscn1 308250975 573079254 /nfs/dbraw/zinc/07/92/54/573079254.db2.gz HHVCDPZUCJVYHT-SECBINFHSA-N 1 2 196.319 2.712 10 30 AFEELO C=CC[C@H](CC)[NH2+][C@@H](C)C(F)(F)F 308252724 573082691 /nfs/dbraw/zinc/08/26/91/573082691.db2.gz CDBMJQKQFSRIFL-YUMQZZPRSA-N 1 2 195.228 2.882 10 30 AFEELO C=CC[C@H](CC)[NH2+][C@H](C)C(F)(F)F 308252723 573084376 /nfs/dbraw/zinc/08/43/76/573084376.db2.gz CDBMJQKQFSRIFL-SFYZADRCSA-N 1 2 195.228 2.882 10 30 AFEELO C=CC[C@@H](CC)[NH2+][C@H](C)C(F)(F)F 308252721 573085389 /nfs/dbraw/zinc/08/53/89/573085389.db2.gz CDBMJQKQFSRIFL-HTQZYQBOSA-N 1 2 195.228 2.882 10 30 AFEELO CCCCCC(=O)/C=C/c1[nH]cc[nH+]1 308255734 573095822 /nfs/dbraw/zinc/09/58/22/573095822.db2.gz JIWNJJBRDQHPCC-VOTSOKGWSA-N 1 2 192.262 2.572 10 30 AFEELO CCc1ccc(/C(=[NH+]/C)SC)cc1 258478227 573101447 /nfs/dbraw/zinc/10/14/47/573101447.db2.gz BGKOKCDVLQBVFQ-QXMHVHEDSA-N 1 2 193.315 2.988 10 30 AFEELO CC1([C@@H](C#N)[NH2+]C2CCCC2)CCC1 686131160 573121320 /nfs/dbraw/zinc/12/13/20/573121320.db2.gz BGQDZMZJYUQYLG-LLVKDONJSA-N 1 2 192.306 2.601 10 30 AFEELO CC[C@](C#N)([NH2+]C(C)C)C1CCCC1 387522985 573123710 /nfs/dbraw/zinc/12/37/10/573123710.db2.gz IEYOGKSRIPCUJG-GFCCVEGCSA-N 1 2 194.322 2.847 10 30 AFEELO CC1([C@H](C#N)[NH2+]C2CCCC2)CCC1 686131163 573123889 /nfs/dbraw/zinc/12/38/89/573123889.db2.gz BGQDZMZJYUQYLG-NSHDSACASA-N 1 2 192.306 2.601 10 30 AFEELO C[C@H](c1ccsc1)[N@H+](C)CCC#N 308280289 573135318 /nfs/dbraw/zinc/13/53/18/573135318.db2.gz WUKOZJFCXZFNTG-SECBINFHSA-N 1 2 194.303 2.655 10 30 AFEELO C[C@H](c1ccsc1)[N@@H+](C)CCC#N 308280289 573135325 /nfs/dbraw/zinc/13/53/25/573135325.db2.gz WUKOZJFCXZFNTG-SECBINFHSA-N 1 2 194.303 2.655 10 30 AFEELO CCCCCCCCC[C@H]([NH3+])C#N 143742201 573138254 /nfs/dbraw/zinc/13/82/54/573138254.db2.gz FJJJJJASZCGAJW-NSHDSACASA-N 1 2 182.311 2.978 10 30 AFEELO C=CCC[C@@H](O)c1cc(C)cc(C)[nH+]1 308507772 573141708 /nfs/dbraw/zinc/14/17/08/573141708.db2.gz AOHOJUKEKFKBKH-GFCCVEGCSA-N 1 2 191.274 2.698 10 30 AFEELO C=CC[C@@H]1CCC[C@@H]1[NH2+]C(C)(C)C#N 308507933 573141793 /nfs/dbraw/zinc/14/17/93/573141793.db2.gz JMIXQASHWWTVAZ-MNOVXSKESA-N 1 2 192.306 2.623 10 30 AFEELO C=CC[C@H]1CCC[C@@H]1[NH2+]C(C)(C)C#N 308507934 573142835 /nfs/dbraw/zinc/14/28/35/573142835.db2.gz JMIXQASHWWTVAZ-QWRGUYRKSA-N 1 2 192.306 2.623 10 30 AFEELO C=CC[C@@H]1CCC[C@H]1[NH2+]C(C)(C)C#N 308507931 573143951 /nfs/dbraw/zinc/14/39/51/573143951.db2.gz JMIXQASHWWTVAZ-GHMZBOCLSA-N 1 2 192.306 2.623 10 30 AFEELO C=CCC[C@H](O)c1cc(C)cc(C)[nH+]1 308507774 573144027 /nfs/dbraw/zinc/14/40/27/573144027.db2.gz AOHOJUKEKFKBKH-LBPRGKRZSA-N 1 2 191.274 2.698 10 30 AFEELO C=CC[C@H]1CCC[C@H]1[NH2+]C(C)(C)C#N 308507936 573145852 /nfs/dbraw/zinc/14/58/52/573145852.db2.gz JMIXQASHWWTVAZ-WDEREUQCSA-N 1 2 192.306 2.623 10 30 AFEELO CC[NH2+][C@@H](C#N)[C@@H](C)C1CCCCC1 308512932 573165040 /nfs/dbraw/zinc/16/50/40/573165040.db2.gz LDMAADDSGFHKMS-JQWIXIFHSA-N 1 2 194.322 2.704 10 30 AFEELO CCC1(CC)C[NH+]([C@@](C)(C#N)CC)C1 308300288 573166061 /nfs/dbraw/zinc/16/60/61/573166061.db2.gz MPJQXJYRHRCTIV-LLVKDONJSA-N 1 2 194.322 2.801 10 30 AFEELO CC[NH2+][C@@H](C#N)[C@H](C)C1CCCCC1 308512935 573166199 /nfs/dbraw/zinc/16/61/99/573166199.db2.gz LDMAADDSGFHKMS-PWSUYJOCSA-N 1 2 194.322 2.704 10 30 AFEELO CCC(C)(C)C[N@H+](CC#N)C(C)C 308285963 573167896 /nfs/dbraw/zinc/16/78/96/573167896.db2.gz DKXHFQCUFZVSDS-UHFFFAOYSA-N 1 2 182.311 2.657 10 30 AFEELO CCC(C)(C)C[N@@H+](CC#N)C(C)C 308285963 573167902 /nfs/dbraw/zinc/16/79/02/573167902.db2.gz DKXHFQCUFZVSDS-UHFFFAOYSA-N 1 2 182.311 2.657 10 30 AFEELO CC[NH2+][C@H](C#N)[C@H](C)C1CCCCC1 308512937 573168607 /nfs/dbraw/zinc/16/86/07/573168607.db2.gz LDMAADDSGFHKMS-ZYHUDNBSSA-N 1 2 194.322 2.704 10 30 AFEELO CC[C@@H](C#N)c1ccc2[nH]c(C)[nH+]c2c1 258562909 573169228 /nfs/dbraw/zinc/16/92/28/573169228.db2.gz JFNVDEQJPAQDTQ-VIFPVBQESA-N 1 2 199.257 2.889 10 30 AFEELO CC[C@@H](C#N)c1ccc2[nH+]c(C)[nH]c2c1 258562909 573169235 /nfs/dbraw/zinc/16/92/35/573169235.db2.gz JFNVDEQJPAQDTQ-VIFPVBQESA-N 1 2 199.257 2.889 10 30 AFEELO CC[C@H](C#N)c1ccc2[nH]c(C)[nH+]c2c1 258562906 573170237 /nfs/dbraw/zinc/17/02/37/573170237.db2.gz JFNVDEQJPAQDTQ-SECBINFHSA-N 1 2 199.257 2.889 10 30 AFEELO Cc1cc2ccc(CC#N)cc2c[nH+]1 257962506 573181362 /nfs/dbraw/zinc/18/13/62/573181362.db2.gz BWZSKNADXPJIIE-UHFFFAOYSA-N 1 2 182.226 2.609 10 30 AFEELO CC[NH+](CC)[C@H](C#N)[C@H](C)C(C)C 308294571 573181541 /nfs/dbraw/zinc/18/15/41/573181541.db2.gz ROAHTIWUFMCTJX-GHMZBOCLSA-N 1 2 182.311 2.512 10 30 AFEELO CC[NH+](CC)[C@@H](C#N)[C@@H](C)C(C)C 308294573 573182079 /nfs/dbraw/zinc/18/20/79/573182079.db2.gz ROAHTIWUFMCTJX-QWRGUYRKSA-N 1 2 182.311 2.512 10 30 AFEELO CC[NH+](CC)[C@H](C#N)[C@@H](C)C(C)C 308294574 573182319 /nfs/dbraw/zinc/18/23/19/573182319.db2.gz ROAHTIWUFMCTJX-WDEREUQCSA-N 1 2 182.311 2.512 10 30 AFEELO CC[C@H](C)[NH2+][C@H](C#N)[C@H](C)C(C)C 308297167 573187650 /nfs/dbraw/zinc/18/76/50/573187650.db2.gz WSWUCWRZLXUQAU-HBNTYKKESA-N 1 2 182.311 2.559 10 30 AFEELO Cc1cccc([C@@H](CC#N)[NH+](C)C)c1 259363308 573188180 /nfs/dbraw/zinc/18/81/80/573188180.db2.gz FYXZZIXFYGEVEC-GFCCVEGCSA-N 1 2 188.274 2.511 10 30 AFEELO Cc1cccc([C@H](CC#N)[NH+](C)C)c1 259363311 573191153 /nfs/dbraw/zinc/19/11/53/573191153.db2.gz FYXZZIXFYGEVEC-LBPRGKRZSA-N 1 2 188.274 2.511 10 30 AFEELO C=CCCC[NH2+]c1ccc(N)cc1F 308515809 573193576 /nfs/dbraw/zinc/19/35/76/573193576.db2.gz FDKIHOPYXAWLKC-UHFFFAOYSA-N 1 2 194.253 2.786 10 30 AFEELO CCC(C#N)(CC)[NH+]1CC(C(C)C)C1 308301314 573195013 /nfs/dbraw/zinc/19/50/13/573195013.db2.gz QIZWQEUCHNBQSD-UHFFFAOYSA-N 1 2 194.322 2.657 10 30 AFEELO C=CCC[C@@](C)(C#N)[NH2+][C@@H](C)CC 132083265 573204531 /nfs/dbraw/zinc/20/45/31/573204531.db2.gz UVSVYMIKENDIHU-QWRGUYRKSA-N 1 2 180.295 2.623 10 30 AFEELO C=CCC[C@@](C)(C#N)[NH2+][C@H](C)CC 132083058 573209862 /nfs/dbraw/zinc/20/98/62/573209862.db2.gz UVSVYMIKENDIHU-MNOVXSKESA-N 1 2 180.295 2.623 10 30 AFEELO CCC[NH2+]C1(C#N)C[C@H](C)C[C@@H](C)C1 82831058 573217778 /nfs/dbraw/zinc/21/77/78/573217778.db2.gz PCOHCYZSFWISSM-GHMZBOCLSA-N 1 2 194.322 2.704 10 30 AFEELO C=CCC[C@H]([NH2+]CCC)C(F)(F)F 129067510 573219500 /nfs/dbraw/zinc/21/95/00/573219500.db2.gz JIRQVFXHEBNGTN-QMMMGPOBSA-N 1 2 195.228 2.883 10 30 AFEELO CCC[NH2+]C1(C#N)C[C@@H](C)C[C@H](C)C1 82831057 573219978 /nfs/dbraw/zinc/21/99/78/573219978.db2.gz PCOHCYZSFWISSM-QWRGUYRKSA-N 1 2 194.322 2.704 10 30 AFEELO C[C@@H](C#N)[N@H+](C)C1C[C@H](C)C[C@@H](C)C1 82832731 573220488 /nfs/dbraw/zinc/22/04/88/573220488.db2.gz GBBHUMAPBLUPLC-MXWKQRLJSA-N 1 2 194.322 2.655 10 30 AFEELO C[C@@H](C#N)[N@@H+](C)C1C[C@H](C)C[C@@H](C)C1 82832731 573220496 /nfs/dbraw/zinc/22/04/96/573220496.db2.gz GBBHUMAPBLUPLC-MXWKQRLJSA-N 1 2 194.322 2.655 10 30 AFEELO CCC[NH2+][C@]1(C#N)CC[C@@H](C)[C@H](C)C1 82838030 573223318 /nfs/dbraw/zinc/22/33/18/573223318.db2.gz ODSREPFZQCBERX-IJLUTSLNSA-N 1 2 194.322 2.704 10 30 AFEELO CC(C)[NH2+][C@]1(C#N)CC[C@H](C)[C@@H](C)C1 82838037 573223666 /nfs/dbraw/zinc/22/36/66/573223666.db2.gz IHEDZGIKYMNKKB-SDDRHHMPSA-N 1 2 194.322 2.703 10 30 AFEELO CC(C)[NH2+][C@]1(C#N)CC[C@@H](C)[C@@H](C)C1 82838035 573226477 /nfs/dbraw/zinc/22/64/77/573226477.db2.gz IHEDZGIKYMNKKB-GRYCIOLGSA-N 1 2 194.322 2.703 10 30 AFEELO CCc1[nH]c2ccc(CS)cc2[nH+]1 258601971 573230950 /nfs/dbraw/zinc/23/09/50/573230950.db2.gz NIBCMQPMARCWEY-UHFFFAOYSA-N 1 2 192.287 2.555 10 30 AFEELO CCc1[nH]c2cc(CS)ccc2[nH+]1 258601971 573230956 /nfs/dbraw/zinc/23/09/56/573230956.db2.gz NIBCMQPMARCWEY-UHFFFAOYSA-N 1 2 192.287 2.555 10 30 AFEELO CC[N@H+](CC#N)[C@@H]1CC[C@H](C)[C@H](C)C1 82841890 573231480 /nfs/dbraw/zinc/23/14/80/573231480.db2.gz AGJVOPYOBHYTQL-QJPTWQEYSA-N 1 2 194.322 2.657 10 30 AFEELO CC[N@@H+](CC#N)[C@@H]1CC[C@H](C)[C@H](C)C1 82841890 573231484 /nfs/dbraw/zinc/23/14/84/573231484.db2.gz AGJVOPYOBHYTQL-QJPTWQEYSA-N 1 2 194.322 2.657 10 30 AFEELO CCC[N@H+](CC#N)CC(CC)CC 129114240 573231712 /nfs/dbraw/zinc/23/17/12/573231712.db2.gz IEIYPSYXQGJTAI-UHFFFAOYSA-N 1 2 182.311 2.658 10 30 AFEELO CCC[N@@H+](CC#N)CC(CC)CC 129114240 573231717 /nfs/dbraw/zinc/23/17/17/573231717.db2.gz IEIYPSYXQGJTAI-UHFFFAOYSA-N 1 2 182.311 2.658 10 30 AFEELO C[C@H]1C[C@@H]([N@@H+](C)[C@@H](C)C#N)CC[C@H]1C 82841895 573231826 /nfs/dbraw/zinc/23/18/26/573231826.db2.gz AJOXWTQMWWSCJF-RHYQMDGZSA-N 1 2 194.322 2.655 10 30 AFEELO C[C@H]1C[C@@H]([N@H+](C)[C@@H](C)C#N)CC[C@H]1C 82841895 573231832 /nfs/dbraw/zinc/23/18/32/573231832.db2.gz AJOXWTQMWWSCJF-RHYQMDGZSA-N 1 2 194.322 2.655 10 30 AFEELO CCC(CC)C[N@H+](CC#N)C(C)C 129117454 573238330 /nfs/dbraw/zinc/23/83/30/573238330.db2.gz PVTMUVXTPQDLNW-UHFFFAOYSA-N 1 2 182.311 2.657 10 30 AFEELO CCC(CC)C[N@@H+](CC#N)C(C)C 129117454 573238333 /nfs/dbraw/zinc/23/83/33/573238333.db2.gz PVTMUVXTPQDLNW-UHFFFAOYSA-N 1 2 182.311 2.657 10 30 AFEELO CCC[NH2+][C@]1(C#N)CC[C@@H](C)C[C@@H]1C 82860172 573241123 /nfs/dbraw/zinc/24/11/23/573241123.db2.gz WFGCVEBJNBGICR-WOPDTQHZSA-N 1 2 194.322 2.704 10 30 AFEELO CC(C)[NH2+][C@]1(C#N)CC[C@@H](C)C[C@H]1C 82860182 573241206 /nfs/dbraw/zinc/24/12/06/573241206.db2.gz ZMUASIFGBQYATC-UTUOFQBUSA-N 1 2 194.322 2.703 10 30 AFEELO CC(C)[C@H](C)[C@H](C#N)[NH2+]C1CCCC1 308521669 573241810 /nfs/dbraw/zinc/24/18/10/573241810.db2.gz SXKGMIHUZRHJAD-JQWIXIFHSA-N 1 2 194.322 2.703 10 30 AFEELO C/C(=[NH+]\C(C)C)c1ccccc1O 116207959 573248544 /nfs/dbraw/zinc/24/85/44/573248544.db2.gz PQMOAUFCOKAZLJ-FMIVXFBMSA-N 1 2 177.247 2.610 10 30 AFEELO CC[C@H](C#N)[N@H+](C)CCCC(C)C 308321841 573248719 /nfs/dbraw/zinc/24/87/19/573248719.db2.gz ZDRVAUKYOYSESW-LLVKDONJSA-N 1 2 182.311 2.657 10 30 AFEELO CC[C@H](C#N)[N@@H+](C)CCCC(C)C 308321841 573248723 /nfs/dbraw/zinc/24/87/23/573248723.db2.gz ZDRVAUKYOYSESW-LLVKDONJSA-N 1 2 182.311 2.657 10 30 AFEELO CCC1([C@H](C#N)[NH2+]CC(C)C)CCC1 686134450 573295249 /nfs/dbraw/zinc/29/52/49/573295249.db2.gz TVDNEHYMWXNWFZ-NSHDSACASA-N 1 2 194.322 2.704 10 30 AFEELO CC[C@@H](C)[NH2+][C@H](C#N)C1(CC)CCC1 686134478 573296731 /nfs/dbraw/zinc/29/67/31/573296731.db2.gz UILBBNXWJWJWQW-GHMZBOCLSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@H](C)[NH2+][C@@H](C#N)C1(CC)CCC1 686134484 573297393 /nfs/dbraw/zinc/29/73/93/573297393.db2.gz UILBBNXWJWJWQW-QWRGUYRKSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@@H](C)[NH2+][C@@H](C#N)C1(CC)CCC1 686134482 573297418 /nfs/dbraw/zinc/29/74/18/573297418.db2.gz UILBBNXWJWJWQW-MNOVXSKESA-N 1 2 194.322 2.847 10 30 AFEELO CC#CCCCCNc1cccc[nH+]1 308551471 573317561 /nfs/dbraw/zinc/31/75/61/573317561.db2.gz XPZGIXCVPQMKLQ-UHFFFAOYSA-N 1 2 188.274 2.687 10 30 AFEELO CCCCCC[C@@]1(C#N)CCCC[NH2+]1 308550530 573330186 /nfs/dbraw/zinc/33/01/86/573330186.db2.gz ROLGAEMQBFRWHV-LBPRGKRZSA-N 1 2 194.322 2.993 10 30 AFEELO CCC(CC)C[C@@]1(C#N)CCCC[NH2+]1 308570442 573394294 /nfs/dbraw/zinc/39/42/94/573394294.db2.gz BUEFQPPDOWSWOO-GFCCVEGCSA-N 1 2 194.322 2.849 10 30 AFEELO N#CCc1ccc2[nH]c(C3CC3)[nH+]c2c1 214886651 573422630 /nfs/dbraw/zinc/42/26/30/573422630.db2.gz LIPAXZLCNALCDE-UHFFFAOYSA-N 1 2 197.241 2.506 10 30 AFEELO CC(C)[C@@H](C#N)c1[nH+]cc2ccccn12 259449102 573434127 /nfs/dbraw/zinc/43/41/27/573434127.db2.gz KHRRIAGONKIPRE-LLVKDONJSA-N 1 2 199.257 2.597 10 30 AFEELO N#C[C@@]1(CCCCCF)CCCC[NH2+]1 308586251 573443754 /nfs/dbraw/zinc/44/37/54/573443754.db2.gz IMIMKYXHTNOPMQ-LLVKDONJSA-N 1 2 198.285 2.552 10 30 AFEELO C[C@@H]([C@@H](C#N)[NH2+]CC1CC1)C(C)(C)C 308591457 573455712 /nfs/dbraw/zinc/45/57/12/573455712.db2.gz PCSPJISJSBOCRE-GXSJLCMTSA-N 1 2 194.322 2.560 10 30 AFEELO C[C@H]([C@H](C#N)[NH2+]CC1CC1)C(C)(C)C 308591459 573456263 /nfs/dbraw/zinc/45/62/63/573456263.db2.gz PCSPJISJSBOCRE-KOLCDFICSA-N 1 2 194.322 2.560 10 30 AFEELO CCC[NH2+][C@H](C#N)C1(C(C)C)CCC1 686134461 573456311 /nfs/dbraw/zinc/45/63/11/573456311.db2.gz VURMUJWAULNLIP-LLVKDONJSA-N 1 2 194.322 2.704 10 30 AFEELO CCC[NH2+][C@@H](C#N)C1(C(C)C)CCC1 686134462 573456357 /nfs/dbraw/zinc/45/63/57/573456357.db2.gz VURMUJWAULNLIP-NSHDSACASA-N 1 2 194.322 2.704 10 30 AFEELO C[C@H]1CCC[C@]1(C#N)[NH2+]C1CCCC1 83393385 573476419 /nfs/dbraw/zinc/47/64/19/573476419.db2.gz YYSDKUIOESIORS-CMPLNLGQSA-N 1 2 192.306 2.601 10 30 AFEELO C[C@@H]1CCC[C@]1(C#N)[NH2+]C1CCCC1 83393383 573476920 /nfs/dbraw/zinc/47/69/20/573476920.db2.gz YYSDKUIOESIORS-ZYHUDNBSSA-N 1 2 192.306 2.601 10 30 AFEELO C[C@H]1CCC[C@@]1(C#N)[NH2+]C1CCCC1 83393382 573477076 /nfs/dbraw/zinc/47/70/76/573477076.db2.gz YYSDKUIOESIORS-JQWIXIFHSA-N 1 2 192.306 2.601 10 30 AFEELO Cc1[nH+]ccc2cc(CC#N)ccc12 258039161 573487152 /nfs/dbraw/zinc/48/71/52/573487152.db2.gz JPRYTQGOMOEOEN-UHFFFAOYSA-N 1 2 182.226 2.609 10 30 AFEELO Cc1cc2ccc(CCC=O)cc2c[nH+]1 258040749 573492080 /nfs/dbraw/zinc/49/20/80/573492080.db2.gz GAOUEYLXJLFWQE-UHFFFAOYSA-N 1 2 199.253 2.675 10 30 AFEELO C[C@H](C#N)[NH2+]CC(C)(C)C(C)(C)C 258691225 573493193 /nfs/dbraw/zinc/49/31/93/573493193.db2.gz DBLCJJRPECAMTF-SECBINFHSA-N 1 2 182.311 2.560 10 30 AFEELO C[C@H]1CCC[C@@](C#N)([NH2+]C2CC2)CC1 83428321 573498741 /nfs/dbraw/zinc/49/87/41/573498741.db2.gz MLKPTZFKIATXOH-CMPLNLGQSA-N 1 2 192.306 2.601 10 30 AFEELO CCC[NH2+][C@@]1(C#N)CCC[C@@H](C)CC1 83428315 573499077 /nfs/dbraw/zinc/49/90/77/573499077.db2.gz CIRMYKFXUZGDME-NEPJUHHUSA-N 1 2 194.322 2.849 10 30 AFEELO CC(C)[NH2+][C@@]1(C#N)CCC[C@@H](C)CC1 83428318 573499618 /nfs/dbraw/zinc/49/96/18/573499618.db2.gz VTCQRRPOCMVGFL-NEPJUHHUSA-N 1 2 194.322 2.847 10 30 AFEELO CCC[NH2+][C@]1(C#N)CCC[C@H](C)CC1 83428312 573501379 /nfs/dbraw/zinc/50/13/79/573501379.db2.gz CIRMYKFXUZGDME-NWDGAFQWSA-N 1 2 194.322 2.849 10 30 AFEELO C[C@@H]1CCC[C@@](C#N)([NH2+]C2CC2)CC1 83428320 573501609 /nfs/dbraw/zinc/50/16/09/573501609.db2.gz MLKPTZFKIATXOH-ZYHUDNBSSA-N 1 2 192.306 2.601 10 30 AFEELO CCC[NH2+][C@@]1(C#N)CCC[C@H](C)CC1 83428313 573502151 /nfs/dbraw/zinc/50/21/51/573502151.db2.gz CIRMYKFXUZGDME-RYUDHWBXSA-N 1 2 194.322 2.849 10 30 AFEELO C[NH2+][C@]1(C#N)CCC[C@@H](C(C)C)CC1 83437754 573504726 /nfs/dbraw/zinc/50/47/26/573504726.db2.gz SCKUCDAVCPVKBQ-VXGBXAGGSA-N 1 2 194.322 2.704 10 30 AFEELO CCC[C@H]1CCC[C@](C#N)([NH2+]C)CC1 83437753 573503940 /nfs/dbraw/zinc/50/39/40/573503940.db2.gz BSFMHMAZWYLCBC-RYUDHWBXSA-N 1 2 194.322 2.849 10 30 AFEELO C[NH2+][C@@]1(C#N)CCC[C@H](C(C)C)CC1 83437757 573503964 /nfs/dbraw/zinc/50/39/64/573503964.db2.gz SCKUCDAVCPVKBQ-RYUDHWBXSA-N 1 2 194.322 2.704 10 30 AFEELO Cc1ccccc1[C@@H](CC#N)[NH+](C)C 259481963 573503969 /nfs/dbraw/zinc/50/39/69/573503969.db2.gz KQRNIPSRXKCZLK-GFCCVEGCSA-N 1 2 188.274 2.511 10 30 AFEELO CCC[C@@H]1CCC[C@](C#N)([NH2+]C)CC1 83437752 573504137 /nfs/dbraw/zinc/50/41/37/573504137.db2.gz BSFMHMAZWYLCBC-NEPJUHHUSA-N 1 2 194.322 2.849 10 30 AFEELO CC[NH2+][C@@]1(C#N)CCC[C@@H](CC)CC1 83436062 573504221 /nfs/dbraw/zinc/50/42/21/573504221.db2.gz XBWIBCYBMDQZIR-NEPJUHHUSA-N 1 2 194.322 2.849 10 30 AFEELO Cc1ccccc1[C@H](CC#N)[NH+](C)C 259481968 573504266 /nfs/dbraw/zinc/50/42/66/573504266.db2.gz KQRNIPSRXKCZLK-LBPRGKRZSA-N 1 2 188.274 2.511 10 30 AFEELO C[NH2+][C@@]1(C#N)CCC[C@@H](C(C)C)CC1 83437756 573504299 /nfs/dbraw/zinc/50/42/99/573504299.db2.gz SCKUCDAVCPVKBQ-NEPJUHHUSA-N 1 2 194.322 2.704 10 30 AFEELO CC[NH2+][C@]1(C#N)CCCC(C)(C)CC1 83436064 573504634 /nfs/dbraw/zinc/50/46/34/573504634.db2.gz KSHQWFFUWDSHGY-GFCCVEGCSA-N 1 2 194.322 2.849 10 30 AFEELO C[NH+](C)[C@]1(C#N)CCCC(C)(C)CC1 83436602 573505672 /nfs/dbraw/zinc/50/56/72/573505672.db2.gz ICYFKQDWGANXKC-GFCCVEGCSA-N 1 2 194.322 2.801 10 30 AFEELO CCC[C@H]1CCC[C@@](C#N)([NH2+]C)CC1 83437751 573505718 /nfs/dbraw/zinc/50/57/18/573505718.db2.gz BSFMHMAZWYLCBC-NWDGAFQWSA-N 1 2 194.322 2.849 10 30 AFEELO CC[NH2+][C@]1(C#N)CCC[C@H](CC)CC1 83436061 573506311 /nfs/dbraw/zinc/50/63/11/573506311.db2.gz XBWIBCYBMDQZIR-NWDGAFQWSA-N 1 2 194.322 2.849 10 30 AFEELO CC[NH2+][C@@]1(C#N)CCCC(C)(C)CC1 83436065 573506286 /nfs/dbraw/zinc/50/62/86/573506286.db2.gz KSHQWFFUWDSHGY-LBPRGKRZSA-N 1 2 194.322 2.849 10 30 AFEELO CC[C@H]1CCC[C@](C#N)([NH+](C)C)CC1 83436607 573507619 /nfs/dbraw/zinc/50/76/19/573507619.db2.gz QSGCSVJSDCFANV-RYUDHWBXSA-N 1 2 194.322 2.801 10 30 AFEELO CCCC1CC[NH+]([C@H](C#N)CC)CC1 50893797 573509849 /nfs/dbraw/zinc/50/98/49/573509849.db2.gz DLKWDWPXNYHZSE-LBPRGKRZSA-N 1 2 194.322 2.801 10 30 AFEELO CCCC1CC[NH+]([C@@H](C#N)CC)CC1 50893798 573510876 /nfs/dbraw/zinc/51/08/76/573510876.db2.gz DLKWDWPXNYHZSE-GFCCVEGCSA-N 1 2 194.322 2.801 10 30 AFEELO CC(C)(C#N)[NH2+]CC(C)(C)C(C)(C)C 258728573 573515575 /nfs/dbraw/zinc/51/55/75/573515575.db2.gz GXJUDLVUVOWVBT-UHFFFAOYSA-N 1 2 196.338 2.950 10 30 AFEELO CC(C)C(C)(C)C[NH2+]C(C)(C)C#N 258731394 573516279 /nfs/dbraw/zinc/51/62/79/573516279.db2.gz HCCFMTGGSQBSGJ-UHFFFAOYSA-N 1 2 182.311 2.560 10 30 AFEELO CCCC(C)(C)C[NH2+]C(C)(C)C#N 258731273 573520196 /nfs/dbraw/zinc/52/01/96/573520196.db2.gz HASLWQMBTJPKFO-UHFFFAOYSA-N 1 2 182.311 2.704 10 30 AFEELO CC[C@H](C)[NH2+][C@H](C#N)[C@@H](C)C(C)(C)C 308606730 573524541 /nfs/dbraw/zinc/52/45/41/573524541.db2.gz WTWMAGZRZJCQNO-HBNTYKKESA-N 1 2 196.338 2.949 10 30 AFEELO C[C@@H](C#N)[N@@H+]1CC[C@@H](CC(C)(C)C)C1 306286192 573533035 /nfs/dbraw/zinc/53/30/35/573533035.db2.gz DHQKCJUHHKGRJE-QWRGUYRKSA-N 1 2 194.322 2.657 10 30 AFEELO C[C@@H](C#N)[N@H+]1CC[C@@H](CC(C)(C)C)C1 306286192 573533042 /nfs/dbraw/zinc/53/30/42/573533042.db2.gz DHQKCJUHHKGRJE-QWRGUYRKSA-N 1 2 194.322 2.657 10 30 AFEELO CC(C)(C#N)[NH2+]CCC1CCCCC1 258757794 573533817 /nfs/dbraw/zinc/53/38/17/573533817.db2.gz JHZATLMGJMLQEO-UHFFFAOYSA-N 1 2 194.322 2.849 10 30 AFEELO C[C@H](C#N)[N@@H+]1CC[C@@H](CC(C)(C)C)C1 306286190 573534281 /nfs/dbraw/zinc/53/42/81/573534281.db2.gz DHQKCJUHHKGRJE-MNOVXSKESA-N 1 2 194.322 2.657 10 30 AFEELO C[C@H](C#N)[N@H+]1CC[C@@H](CC(C)(C)C)C1 306286190 573534287 /nfs/dbraw/zinc/53/42/87/573534287.db2.gz DHQKCJUHHKGRJE-MNOVXSKESA-N 1 2 194.322 2.657 10 30 AFEELO C[C@H](C#N)[N@@H+]1CC[C@H](CC(C)(C)C)C1 306286188 573536025 /nfs/dbraw/zinc/53/60/25/573536025.db2.gz DHQKCJUHHKGRJE-GHMZBOCLSA-N 1 2 194.322 2.657 10 30 AFEELO C[C@H](C#N)[N@H+]1CC[C@H](CC(C)(C)C)C1 306286188 573536030 /nfs/dbraw/zinc/53/60/30/573536030.db2.gz DHQKCJUHHKGRJE-GHMZBOCLSA-N 1 2 194.322 2.657 10 30 AFEELO CCC/[NH+]=C1/CCOc2ccccc21 107390053 573551555 /nfs/dbraw/zinc/55/15/55/573551555.db2.gz MTKHLDJIJHFRHF-QBFSEMIESA-N 1 2 189.258 2.668 10 30 AFEELO CCCC1(C[NH2+][C@H](C#N)CC)CCC1 308620755 573558251 /nfs/dbraw/zinc/55/82/51/573558251.db2.gz TUKBACRMOIUGMY-NSHDSACASA-N 1 2 194.322 2.849 10 30 AFEELO CCC/C=[NH+]\[C@@H](CO)c1ccccc1 308620552 573558716 /nfs/dbraw/zinc/55/87/16/573558716.db2.gz DRQRCIZPBAQHSQ-VWLVURMCSA-N 1 2 191.274 2.591 10 30 AFEELO CCCC1(C[NH2+][C@@H](C#N)CC)CCC1 308620754 573559321 /nfs/dbraw/zinc/55/93/21/573559321.db2.gz TUKBACRMOIUGMY-LLVKDONJSA-N 1 2 194.322 2.849 10 30 AFEELO Cc1[nH+]ccc2ccc(CCC=O)cc12 258064752 573572817 /nfs/dbraw/zinc/57/28/17/573572817.db2.gz HUIWHFQAIHAOLV-UHFFFAOYSA-N 1 2 199.253 2.675 10 30 AFEELO CC(C)(C#N)[NH2+]CC(C)(C)C1CCC1 258805782 573581788 /nfs/dbraw/zinc/58/17/88/573581788.db2.gz NTGUYGRELBFTOR-UHFFFAOYSA-N 1 2 194.322 2.704 10 30 AFEELO Cc1[nH]c2ccc([C@H](C)S)cc2[nH+]1 259136088 573591857 /nfs/dbraw/zinc/59/18/57/573591857.db2.gz HMTPGFTYIOYVMV-LURJTMIESA-N 1 2 192.287 2.862 10 30 AFEELO Cc1[nH]c2cc([C@H](C)S)ccc2[nH+]1 259136088 573591861 /nfs/dbraw/zinc/59/18/61/573591861.db2.gz HMTPGFTYIOYVMV-LURJTMIESA-N 1 2 192.287 2.862 10 30 AFEELO Cc1[nH]c2ccc([C@@H](C)S)cc2[nH+]1 259136093 573595633 /nfs/dbraw/zinc/59/56/33/573595633.db2.gz HMTPGFTYIOYVMV-ZCFIWIBFSA-N 1 2 192.287 2.862 10 30 AFEELO Cc1[nH]c2cc([C@@H](C)S)ccc2[nH+]1 259136093 573595637 /nfs/dbraw/zinc/59/56/37/573595637.db2.gz HMTPGFTYIOYVMV-ZCFIWIBFSA-N 1 2 192.287 2.862 10 30 AFEELO Cc1ccc(C[N@H+](C)CS)c(C)c1 258821272 573608024 /nfs/dbraw/zinc/60/80/24/573608024.db2.gz AEWJQBPBJYKOBL-UHFFFAOYSA-N 1 2 195.331 2.623 10 30 AFEELO Cc1ccc(C[N@@H+](C)CS)c(C)c1 258821272 573608031 /nfs/dbraw/zinc/60/80/31/573608031.db2.gz AEWJQBPBJYKOBL-UHFFFAOYSA-N 1 2 195.331 2.623 10 30 AFEELO Cc1[nH+]ccc2ccc(CC#N)cc12 258070160 573612392 /nfs/dbraw/zinc/61/23/92/573612392.db2.gz MCHJIWCEUAISBV-UHFFFAOYSA-N 1 2 182.226 2.609 10 30 AFEELO C[C@@H](C1CCCCC1)[C@@H](C)[NH2+]CC#N 308642692 573615100 /nfs/dbraw/zinc/61/51/00/573615100.db2.gz FPQGGFXUZXWZKW-GHMZBOCLSA-N 1 2 194.322 2.704 10 30 AFEELO C[C@H]([NH2+]CC#N)[C@@H](C)C1CCCCC1 308642694 573615271 /nfs/dbraw/zinc/61/52/71/573615271.db2.gz FPQGGFXUZXWZKW-MNOVXSKESA-N 1 2 194.322 2.704 10 30 AFEELO C=CCNc1ccc([NH2+]CC)cc1 142891085 573624045 /nfs/dbraw/zinc/62/40/45/573624045.db2.gz NWWQNJPJIPIQRS-UHFFFAOYSA-N 1 2 176.263 2.716 10 30 AFEELO C=CC[NH2+]c1ccc(NCC)cc1 142891085 573624052 /nfs/dbraw/zinc/62/40/52/573624052.db2.gz NWWQNJPJIPIQRS-UHFFFAOYSA-N 1 2 176.263 2.716 10 30 AFEELO CC(C)[N@H+](CC#N)CC1(C)CCCC1 308650110 573626220 /nfs/dbraw/zinc/62/62/20/573626220.db2.gz JQJMJGVSUGXXKS-UHFFFAOYSA-N 1 2 194.322 2.801 10 30 AFEELO CC(C)[N@@H+](CC#N)CC1(C)CCCC1 308650110 573626228 /nfs/dbraw/zinc/62/62/28/573626228.db2.gz JQJMJGVSUGXXKS-UHFFFAOYSA-N 1 2 194.322 2.801 10 30 AFEELO CC(C)(C)C1CCC(/C(N)=[NH+]/O)CC1 83781135 573631021 /nfs/dbraw/zinc/63/10/21/573631021.db2.gz DCCGDEJLWXRMJL-UHFFFAOYSA-N 1 2 198.310 2.585 10 30 AFEELO C=CC[C@@](C#N)([NH+](C)C)C(C)(C)C=C 75581045 573632955 /nfs/dbraw/zinc/63/29/55/573632955.db2.gz JKIVOOMHYOUZBA-LBPRGKRZSA-N 1 2 192.306 2.599 10 30 AFEELO C=CC[C@](C#N)([NH+](C)C)C(C)(C)C=C 75581044 573637042 /nfs/dbraw/zinc/63/70/42/573637042.db2.gz JKIVOOMHYOUZBA-GFCCVEGCSA-N 1 2 192.306 2.599 10 30 AFEELO CC[C@@H](C#N)[NH2+]CCC1(C)CCCC1 308650886 573639971 /nfs/dbraw/zinc/63/99/71/573639971.db2.gz KBWNLKYOJCBGBA-NSHDSACASA-N 1 2 194.322 2.849 10 30 AFEELO CC[C@H](C#N)[NH2+]CCC1(C)CCCC1 308650885 573640083 /nfs/dbraw/zinc/64/00/83/573640083.db2.gz KBWNLKYOJCBGBA-LLVKDONJSA-N 1 2 194.322 2.849 10 30 AFEELO CC1(C)CCCC[C@@]1(C#N)[NH2+]C1CC1 86847270 573641795 /nfs/dbraw/zinc/64/17/95/573641795.db2.gz SNJPYHOCGODOFB-LBPRGKRZSA-N 1 2 192.306 2.601 10 30 AFEELO CC(C)[NH2+][C@]1(C#N)CCCCC1(C)C 86847264 573643863 /nfs/dbraw/zinc/64/38/63/573643863.db2.gz WUDFYKHNJGGVEL-LBPRGKRZSA-N 1 2 194.322 2.847 10 30 AFEELO CCC[NH2+][C@]1(C#N)CCCCC1(C)C 86847259 573643932 /nfs/dbraw/zinc/64/39/32/573643932.db2.gz IMGVQCXUHXCBIB-LBPRGKRZSA-N 1 2 194.322 2.849 10 30 AFEELO C[C@H](C#N)[N@H+](C)CCC1CCCCC1 258829936 573643950 /nfs/dbraw/zinc/64/39/50/573643950.db2.gz PYVHTLXSSBTWOW-LLVKDONJSA-N 1 2 194.322 2.801 10 30 AFEELO C[C@H](C#N)[N@@H+](C)CCC1CCCCC1 258829936 573643955 /nfs/dbraw/zinc/64/39/55/573643955.db2.gz PYVHTLXSSBTWOW-LLVKDONJSA-N 1 2 194.322 2.801 10 30 AFEELO CCC[NH2+][C@@]1(C#N)CCCCC1(C)C 86847261 573644982 /nfs/dbraw/zinc/64/49/82/573644982.db2.gz IMGVQCXUHXCBIB-GFCCVEGCSA-N 1 2 194.322 2.849 10 30 AFEELO CC(C)[NH2+][C@@]1(C#N)CCCCC1(C)C 86847267 573646045 /nfs/dbraw/zinc/64/60/45/573646045.db2.gz WUDFYKHNJGGVEL-GFCCVEGCSA-N 1 2 194.322 2.847 10 30 AFEELO CC1(C)CCCC[C@]1(C#N)[NH2+]C1CC1 86847272 573646118 /nfs/dbraw/zinc/64/61/18/573646118.db2.gz SNJPYHOCGODOFB-GFCCVEGCSA-N 1 2 192.306 2.601 10 30 AFEELO CC(C)CC(C)(C)C[NH2+][C@H](C)C#N 258837188 573650613 /nfs/dbraw/zinc/65/06/13/573650613.db2.gz QOADQRJJKCTIQO-SNVBAGLBSA-N 1 2 182.311 2.560 10 30 AFEELO CC(C)C[NH2+][C@@]1(C#N)CCCC1(C)C 86866017 573660186 /nfs/dbraw/zinc/66/01/86/573660186.db2.gz VQEOMHUBMIHKEP-GFCCVEGCSA-N 1 2 194.322 2.704 10 30 AFEELO CC[C@H](C)[NH2+][C@@]1(C#N)CCCC1(C)C 86866068 573660696 /nfs/dbraw/zinc/66/06/96/573660696.db2.gz VRILWAHNSXCLJV-CMPLNLGQSA-N 1 2 194.322 2.847 10 30 AFEELO CC(C)C[NH2+][C@]1(C#N)CCCC1(C)C 86866016 573661088 /nfs/dbraw/zinc/66/10/88/573661088.db2.gz VQEOMHUBMIHKEP-LBPRGKRZSA-N 1 2 194.322 2.704 10 30 AFEELO CC[C@@H](C)[NH2+][C@@]1(C#N)CCCC1(C)C 86866067 573662085 /nfs/dbraw/zinc/66/20/85/573662085.db2.gz VRILWAHNSXCLJV-ZYHUDNBSSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@@H](C#N)[NH2+][C@@H]1CCCCC1(C)C 86875075 573670556 /nfs/dbraw/zinc/67/05/56/573670556.db2.gz IVDFYOROAGLWDM-WDEREUQCSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@@H](C#N)[NH2+][C@H]1CCCCC1(C)C 86875082 573671213 /nfs/dbraw/zinc/67/12/13/573671213.db2.gz IVDFYOROAGLWDM-QWRGUYRKSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@H](C#N)[NH2+][C@H]1CCCCC1(C)C 86875084 573671768 /nfs/dbraw/zinc/67/17/68/573671768.db2.gz IVDFYOROAGLWDM-MNOVXSKESA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@H](C#N)[NH2+][C@@H]1CCCCC1(C)C 86875079 573672852 /nfs/dbraw/zinc/67/28/52/573672852.db2.gz IVDFYOROAGLWDM-GHMZBOCLSA-N 1 2 194.322 2.847 10 30 AFEELO Cc1cc(CC#N)c(C(F)F)c(C)[nH+]1 238468927 573680468 /nfs/dbraw/zinc/68/04/68/573680468.db2.gz MWGTUQQENUIYEW-UHFFFAOYSA-N 1 2 196.200 2.702 10 30 AFEELO C[N@H+](CC1CCCCC1)C(C)(C)C#N 258874857 573681026 /nfs/dbraw/zinc/68/10/26/573681026.db2.gz UXNFISKFUQWPGI-UHFFFAOYSA-N 1 2 194.322 2.801 10 30 AFEELO C[N@@H+](CC1CCCCC1)C(C)(C)C#N 258874857 573681030 /nfs/dbraw/zinc/68/10/30/573681030.db2.gz UXNFISKFUQWPGI-UHFFFAOYSA-N 1 2 194.322 2.801 10 30 AFEELO CCCCCCC[C@@H](O)c1[nH]cc[nH+]1 126782309 573684427 /nfs/dbraw/zinc/68/44/27/573684427.db2.gz AVFVNQBIQZZYGE-SNVBAGLBSA-N 1 2 196.294 2.804 10 30 AFEELO C/[NH+]=C(\SC)C1CCCC1 258881971 573693864 /nfs/dbraw/zinc/69/38/64/573693864.db2.gz XVCDAIVJCVLXIM-HJWRWDBZSA-N 1 2 157.282 2.568 10 30 AFEELO C=CC[NH+]=C(C)Nc1ccccc1F 238482420 573699525 /nfs/dbraw/zinc/69/95/25/573699525.db2.gz TUTGKLIFEBBEEC-UHFFFAOYSA-N 1 2 192.237 2.651 10 30 AFEELO CC[C@H](C#N)[NH2+][C@@H]1CCCCC[C@@H]1C 83948958 573708900 /nfs/dbraw/zinc/70/89/00/573708900.db2.gz XSZMESUCCCDDGW-QJPTWQEYSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@H](C#N)[NH2+][C@H]1CCCCC[C@@H]1C 83948960 573708961 /nfs/dbraw/zinc/70/89/61/573708961.db2.gz XSZMESUCCCDDGW-TUAOUCFPSA-N 1 2 194.322 2.847 10 30 AFEELO Cc1ccsc1[C@@H](CC#N)[NH+](C)C 259559726 573709515 /nfs/dbraw/zinc/70/95/15/573709515.db2.gz ORUIMAYKVQJCGM-SECBINFHSA-N 1 2 194.303 2.573 10 30 AFEELO C[C@@H](C#N)[NH2+]CC(C)(C)C1CCCC1 258892513 573729073 /nfs/dbraw/zinc/72/90/73/573729073.db2.gz WXMRWEOXIFCFEJ-JTQLQIEISA-N 1 2 194.322 2.704 10 30 AFEELO C[C@H](C#N)[NH2+]CC(C)(C)C1CCCC1 258892517 573729701 /nfs/dbraw/zinc/72/97/01/573729701.db2.gz WXMRWEOXIFCFEJ-SNVBAGLBSA-N 1 2 194.322 2.704 10 30 AFEELO Cc1ccc([C@H](S)[NH+](C)C)cc1C 259563932 573733693 /nfs/dbraw/zinc/73/36/93/573733693.db2.gz OWTIEZWBDATUIN-NSHDSACASA-N 1 2 195.331 2.793 10 30 AFEELO Cc1ccc([C@@H](S)[NH+](C)C)cc1C 259563931 573734018 /nfs/dbraw/zinc/73/40/18/573734018.db2.gz OWTIEZWBDATUIN-LLVKDONJSA-N 1 2 195.331 2.793 10 30 AFEELO Cc1ccc([C@H](CC#N)[NH+](C)C)cc1 259567749 573775838 /nfs/dbraw/zinc/77/58/38/573775838.db2.gz PBDPEDLQTUYXNV-LBPRGKRZSA-N 1 2 188.274 2.511 10 30 AFEELO Cc1c[nH+]c(C)c(CC#N)c1C(F)F 238512862 573779172 /nfs/dbraw/zinc/77/91/72/573779172.db2.gz ZOBFXGVUXNBCRM-UHFFFAOYSA-N 1 2 196.200 2.702 10 30 AFEELO C=CCC[C@H]([NH2+]N)C(C)(C)C(C)(C)C 308742047 573784685 /nfs/dbraw/zinc/78/46/85/573784685.db2.gz PKJHIXZPWGMQJY-JTQLQIEISA-N 1 2 198.354 2.857 10 30 AFEELO Cc1[nH]c(CS)[nH+]c1C1CCCC1 258514568 573785851 /nfs/dbraw/zinc/78/58/51/573785851.db2.gz GGTOLAKLSBMPQL-UHFFFAOYSA-N 1 2 196.319 2.806 10 30 AFEELO Cc1[nH+]c(CS)[nH]c1C1CCCC1 258514568 573785855 /nfs/dbraw/zinc/78/58/55/573785855.db2.gz GGTOLAKLSBMPQL-UHFFFAOYSA-N 1 2 196.319 2.806 10 30 AFEELO C=CCC[C@@H](CCC)Nc1c[nH]c[nH+]1 308723563 573789372 /nfs/dbraw/zinc/78/93/72/573789372.db2.gz FKNJCFYBOUVTPI-SNVBAGLBSA-N 1 2 193.294 2.957 10 30 AFEELO CC[C@@H](C#N)[NH2+]CC1(CC(C)C)CC1 308746472 573798789 /nfs/dbraw/zinc/79/87/89/573798789.db2.gz RIMUGCSMFKAJMF-NSHDSACASA-N 1 2 194.322 2.704 10 30 AFEELO CCC(CC)[C@H](C#N)[NH2+][C@@H](C)CC 41049772 573814680 /nfs/dbraw/zinc/81/46/80/573814680.db2.gz DFIXJHWMMRVCEY-ONGXEEELSA-N 1 2 182.311 2.703 10 30 AFEELO CCC(CC)[C@H](C#N)[NH2+]CC(C)C 41049718 573814750 /nfs/dbraw/zinc/81/47/50/573814750.db2.gz YBMXBPXSJFPRPM-NSHDSACASA-N 1 2 182.311 2.560 10 30 AFEELO CCC(CC)[C@@H](C#N)[NH2+][C@H](C)CC 41049773 573814919 /nfs/dbraw/zinc/81/49/19/573814919.db2.gz DFIXJHWMMRVCEY-MWLCHTKSSA-N 1 2 182.311 2.703 10 30 AFEELO CCC(CC)[C@@H](C#N)[NH2+]C1CCCC1 41049757 573815317 /nfs/dbraw/zinc/81/53/17/573815317.db2.gz XCISCLKPERGIEG-GFCCVEGCSA-N 1 2 194.322 2.847 10 30 AFEELO CCC(CC)[C@H](C#N)[NH2+]C1CCCC1 41049758 573815398 /nfs/dbraw/zinc/81/53/98/573815398.db2.gz XCISCLKPERGIEG-LBPRGKRZSA-N 1 2 194.322 2.847 10 30 AFEELO CCC(CC)[C@@H](C#N)[NH2+]CC(C)C 41049717 573816106 /nfs/dbraw/zinc/81/61/06/573816106.db2.gz YBMXBPXSJFPRPM-LLVKDONJSA-N 1 2 182.311 2.560 10 30 AFEELO CCC(CC)[C@@H](C#N)[NH2+][C@@H](C)CC 41049774 573816430 /nfs/dbraw/zinc/81/64/30/573816430.db2.gz DFIXJHWMMRVCEY-GXSJLCMTSA-N 1 2 182.311 2.703 10 30 AFEELO CC[C@H](C)[C@H](C#N)[NH2+]C1CCCCC1 41050176 573819645 /nfs/dbraw/zinc/81/96/45/573819645.db2.gz RJBYFZAQVHLTBF-JQWIXIFHSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@@H](C)[C@H](C#N)[NH2+]C1CCCCC1 41050175 573819970 /nfs/dbraw/zinc/81/99/70/573819970.db2.gz RJBYFZAQVHLTBF-PWSUYJOCSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@@H](C)[C@@H](C#N)[NH2+]C1CCCCC1 41050173 573820185 /nfs/dbraw/zinc/82/01/85/573820185.db2.gz RJBYFZAQVHLTBF-ZYHUDNBSSA-N 1 2 194.322 2.847 10 30 AFEELO CCCC1CCC(C[NH2+]CC#N)CC1 308750150 573825220 /nfs/dbraw/zinc/82/52/20/573825220.db2.gz UCUJCZMTHQOECS-UHFFFAOYSA-N 1 2 194.322 2.706 10 30 AFEELO CC(C)CCC[C@H](C)[NH2+][C@H](C)C#N 43515419 573826957 /nfs/dbraw/zinc/82/69/57/573826957.db2.gz FLPOKXVNHNNMEH-WDEREUQCSA-N 1 2 182.311 2.703 10 30 AFEELO CCCC[C@H](C#N)[NH+]1CCCCC1 41053501 573828192 /nfs/dbraw/zinc/82/81/92/573828192.db2.gz ZZEUIZSEPAJSIX-LLVKDONJSA-N 1 2 180.295 2.555 10 30 AFEELO CCCCCC[C@@H](C)[NH2+][C@@H](C)C#N 43515447 573826877 /nfs/dbraw/zinc/82/68/77/573826877.db2.gz UQMXPTAKLGDKAE-MNOVXSKESA-N 1 2 182.311 2.847 10 30 AFEELO CCCC[C@@H](C#N)[NH2+]C1CCCC1 41053316 573828727 /nfs/dbraw/zinc/82/87/27/573828727.db2.gz HTAOAXHBMUJKDF-NSHDSACASA-N 1 2 180.295 2.601 10 30 AFEELO CC(C)[NH2+][C@@H](C#N)C1CCCCCC1 84329650 573828759 /nfs/dbraw/zinc/82/87/59/573828759.db2.gz LSPMLVVSRRSFIX-LBPRGKRZSA-N 1 2 194.322 2.847 10 30 AFEELO N#C[C@@H]([NH2+]C1CC1)C1CCCCCC1 84329654 573829203 /nfs/dbraw/zinc/82/92/03/573829203.db2.gz SYTTTWWCDSLFHJ-GFCCVEGCSA-N 1 2 192.306 2.601 10 30 AFEELO CCC1CCC([NH2+][C@@H](C#N)CC)CC1 43541022 573832830 /nfs/dbraw/zinc/83/28/30/573832830.db2.gz YZVPVDAOUHFILU-MOENNCHZSA-N 1 2 194.322 2.847 10 30 AFEELO CCCC[NH+](CCCC)[C@@H](C)C#N 43521883 573832874 /nfs/dbraw/zinc/83/28/74/573832874.db2.gz KWZJTIYZGRPUES-NSHDSACASA-N 1 2 182.311 2.801 10 30 AFEELO CC[C@H](C#N)[NH2+]C[C@@H]1CCCC[C@@H]1C 43541551 573833110 /nfs/dbraw/zinc/83/31/10/573833110.db2.gz QIAKKOCUHGAGBH-SDDRHHMPSA-N 1 2 194.322 2.704 10 30 AFEELO CC[C@@H](C#N)[NH2+]C[C@H]1CCCC[C@@H]1C 43541552 573833158 /nfs/dbraw/zinc/83/31/58/573833158.db2.gz QIAKKOCUHGAGBH-TUAOUCFPSA-N 1 2 194.322 2.704 10 30 AFEELO C[C@H](C#N)n1cc[nH+]c1-c1ccccc1 43522474 573833593 /nfs/dbraw/zinc/83/35/93/573833593.db2.gz LZRQJPJABAXNCV-SNVBAGLBSA-N 1 2 197.241 2.635 10 30 AFEELO CCCCC[N@H+](C(C)C)[C@@H](C)C#N 43522321 573833606 /nfs/dbraw/zinc/83/36/06/573833606.db2.gz LSQJYPDNDRRFPQ-NSHDSACASA-N 1 2 182.311 2.799 10 30 AFEELO CCCCC[N@@H+](C(C)C)[C@@H](C)C#N 43522321 573833609 /nfs/dbraw/zinc/83/36/09/573833609.db2.gz LSQJYPDNDRRFPQ-NSHDSACASA-N 1 2 182.311 2.799 10 30 AFEELO CC[C@@H](C#N)[NH2+][C@H]1CCCC[C@@H]1CC 43541010 573833722 /nfs/dbraw/zinc/83/37/22/573833722.db2.gz QNTAVMLUVFHBLY-SRVKXCTJSA-N 1 2 194.322 2.847 10 30 AFEELO CCCCC[C@@H](C)[NH2+][C@H](C#N)CC 43540987 573833731 /nfs/dbraw/zinc/83/37/31/573833731.db2.gz ZRDJICCCNZBNPO-MNOVXSKESA-N 1 2 182.311 2.847 10 30 AFEELO CCCCC[C@H](C)[NH2+][C@@H](C#N)CC 43540990 573833812 /nfs/dbraw/zinc/83/38/12/573833812.db2.gz ZRDJICCCNZBNPO-WDEREUQCSA-N 1 2 182.311 2.847 10 30 AFEELO CC1CCC([C@@H](C#N)[NH2+]C(C)C)CC1 84339561 573833816 /nfs/dbraw/zinc/83/38/16/573833816.db2.gz GYRLUNZEZGKYAT-HTAVTVPLSA-N 1 2 194.322 2.703 10 30 AFEELO CCCCC[C@H](C)[NH2+][C@H](C#N)CC 43540988 573836104 /nfs/dbraw/zinc/83/61/04/573836104.db2.gz ZRDJICCCNZBNPO-QWRGUYRKSA-N 1 2 182.311 2.847 10 30 AFEELO CC[C@@H](C#N)[NH2+]C[C@@H]1CCCC[C@@H]1C 43541550 573836677 /nfs/dbraw/zinc/83/66/77/573836677.db2.gz QIAKKOCUHGAGBH-SRVKXCTJSA-N 1 2 194.322 2.704 10 30 AFEELO Cc1cc2[nH+]cn([C@H](C)C#N)c2cc1C 43522439 573836917 /nfs/dbraw/zinc/83/69/17/573836917.db2.gz ASPCYFHBONGZSS-SNVBAGLBSA-N 1 2 199.257 2.738 10 30 AFEELO CC1CCC([C@H](C#N)[NH2+]C(C)C)CC1 84339562 573837105 /nfs/dbraw/zinc/83/71/05/573837105.db2.gz GYRLUNZEZGKYAT-MCIGGMRASA-N 1 2 194.322 2.703 10 30 AFEELO CC[C@H](C#N)[NH2+]CCC1CCCCC1 43540383 573838180 /nfs/dbraw/zinc/83/81/80/573838180.db2.gz LECCJZIKOOFDMU-GFCCVEGCSA-N 1 2 194.322 2.849 10 30 AFEELO C=C(C)c1cc(C)cc(C)[nH+]1 238156904 573842678 /nfs/dbraw/zinc/84/26/78/573842678.db2.gz VOIKKIBNQZVXEJ-UHFFFAOYSA-N 1 2 147.221 2.732 10 30 AFEELO CC(C)c1cn2ccc(CC#N)cc2[nH+]1 214982198 573843574 /nfs/dbraw/zinc/84/35/74/573843574.db2.gz MZODEMHPCDWBBZ-UHFFFAOYSA-N 1 2 199.257 2.524 10 30 AFEELO CCCC[N@@H+](C1CC1)[C@H](C#N)CC 43556594 573843620 /nfs/dbraw/zinc/84/36/20/573843620.db2.gz FUEMPRBXEBGSPH-JTQLQIEISA-N 1 2 180.295 2.553 10 30 AFEELO CCCC[N@H+](C1CC1)[C@H](C#N)CC 43556594 573843623 /nfs/dbraw/zinc/84/36/23/573843623.db2.gz FUEMPRBXEBGSPH-JTQLQIEISA-N 1 2 180.295 2.553 10 30 AFEELO CC(C)[NH2+][C@H](C#N)[C@@H]1CCC[C@@H](C)C1 84343714 573843819 /nfs/dbraw/zinc/84/38/19/573843819.db2.gz RKOQXYBRIKNNTF-IJLUTSLNSA-N 1 2 194.322 2.703 10 30 AFEELO CC[C@H](C#N)[N@H+](C)CC1CCCCC1 43556599 573847922 /nfs/dbraw/zinc/84/79/22/573847922.db2.gz YMNMGFPHHPWJRC-GFCCVEGCSA-N 1 2 194.322 2.801 10 30 AFEELO CC[C@H](C#N)[N@@H+](C)CC1CCCCC1 43556599 573847924 /nfs/dbraw/zinc/84/79/24/573847924.db2.gz YMNMGFPHHPWJRC-GFCCVEGCSA-N 1 2 194.322 2.801 10 30 AFEELO C[C@H](C#N)[N@H+](C)C1CCC(C)(C)CC1 87287474 573863675 /nfs/dbraw/zinc/86/36/75/573863675.db2.gz ZGGZFTGZBAZCSH-SNVBAGLBSA-N 1 2 194.322 2.799 10 30 AFEELO C[C@H](C#N)[N@@H+](C)C1CCC(C)(C)CC1 87287474 573863680 /nfs/dbraw/zinc/86/36/80/573863680.db2.gz ZGGZFTGZBAZCSH-SNVBAGLBSA-N 1 2 194.322 2.799 10 30 AFEELO Cc1ccc(C)c(C[N@H+](C)CS)c1 258983906 573887205 /nfs/dbraw/zinc/88/72/05/573887205.db2.gz WQUHURZPHMFUFI-UHFFFAOYSA-N 1 2 195.331 2.623 10 30 AFEELO Cc1ccc(C)c(C[N@@H+](C)CS)c1 258983906 573887209 /nfs/dbraw/zinc/88/72/09/573887209.db2.gz WQUHURZPHMFUFI-UHFFFAOYSA-N 1 2 195.331 2.623 10 30 AFEELO N#CCCc1[nH]cc(C2CCCC2)[nH+]1 259223404 573892436 /nfs/dbraw/zinc/89/24/36/573892436.db2.gz ZMBUKHFSOJVPCS-UHFFFAOYSA-N 1 2 189.262 2.523 10 30 AFEELO CC1([C@](C)(C#N)[NH2+]C2CCCC2)CC1 87364337 573892384 /nfs/dbraw/zinc/89/23/84/573892384.db2.gz UGJINMGYFAUVHH-LBPRGKRZSA-N 1 2 192.306 2.601 10 30 AFEELO CC1([C@@](C)(C#N)[NH2+]C2CCCC2)CC1 87364334 573892497 /nfs/dbraw/zinc/89/24/97/573892497.db2.gz UGJINMGYFAUVHH-GFCCVEGCSA-N 1 2 192.306 2.601 10 30 AFEELO CC1([C@](C)(C#N)[NH+]2CCCCC2)CC1 87366462 573900034 /nfs/dbraw/zinc/90/00/34/573900034.db2.gz JKJXJOZPWVDASH-LBPRGKRZSA-N 1 2 192.306 2.555 10 30 AFEELO CCCCCC(C)(C)C[NH2+]CC#N 87399448 573908244 /nfs/dbraw/zinc/90/82/44/573908244.db2.gz YTXGZYIYMNMZGO-UHFFFAOYSA-N 1 2 182.311 2.706 10 30 AFEELO CC(C)(C)CC[C@](C)(C#N)[NH2+]C1CC1 308463812 573923122 /nfs/dbraw/zinc/92/31/22/573923122.db2.gz HAZUWJOWXRPXCQ-GFCCVEGCSA-N 1 2 194.322 2.847 10 30 AFEELO C=CCC[C@H]([NH2+]N)[C@@H]1CC[C@@H](CC)C1 233911786 573928404 /nfs/dbraw/zinc/92/84/04/573928404.db2.gz DLZYGNPEDBDNIB-UTUOFQBUSA-N 1 2 196.338 2.611 10 30 AFEELO CCC[N@@H+](CC#N)CCC(C)(C)C 45092765 573948885 /nfs/dbraw/zinc/94/88/85/573948885.db2.gz TZDXLARNNBLEIQ-UHFFFAOYSA-N 1 2 182.311 2.658 10 30 AFEELO CCC[N@H+](CC#N)CCC(C)(C)C 45092765 573948890 /nfs/dbraw/zinc/94/88/90/573948890.db2.gz TZDXLARNNBLEIQ-UHFFFAOYSA-N 1 2 182.311 2.658 10 30 AFEELO CCCCCC[N@@H+](CC#N)CCC 45092646 573949912 /nfs/dbraw/zinc/94/99/12/573949912.db2.gz GVUXOOLWALWQDR-UHFFFAOYSA-N 1 2 182.311 2.802 10 30 AFEELO CCCCCC[N@H+](CC#N)CCC 45092646 573949916 /nfs/dbraw/zinc/94/99/16/573949916.db2.gz GVUXOOLWALWQDR-UHFFFAOYSA-N 1 2 182.311 2.802 10 30 AFEELO Cc1ccc2ccccc2c1[C@H]([NH3+])C#N 308790896 573958355 /nfs/dbraw/zinc/95/83/55/573958355.db2.gz IGDGCJBVRRGJHR-GFCCVEGCSA-N 1 2 196.253 2.672 10 30 AFEELO Cc1ccc2ccccc2c1[C@@H]([NH3+])C#N 308790900 573958430 /nfs/dbraw/zinc/95/84/30/573958430.db2.gz IGDGCJBVRRGJHR-LBPRGKRZSA-N 1 2 196.253 2.672 10 30 AFEELO CCCCC#Cc1cc(C)c[nH+]c1N 238219374 573965321 /nfs/dbraw/zinc/96/53/21/573965321.db2.gz QOOAXZZHRQQTQQ-UHFFFAOYSA-N 1 2 188.274 2.514 10 30 AFEELO CC[C@@H](C)[NH2+][C@@]1(C#N)CCC(C)(C)C1 87772698 574027481 /nfs/dbraw/zinc/02/74/81/574027481.db2.gz TWNUSLWBTSLGJZ-PWSUYJOCSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@H](C)[NH2+][C@]1(C#N)CCC(C)(C)C1 87772697 574027566 /nfs/dbraw/zinc/02/75/66/574027566.db2.gz TWNUSLWBTSLGJZ-CMPLNLGQSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@H](C)[NH2+][C@@]1(C#N)CCC(C)(C)C1 87772699 574027578 /nfs/dbraw/zinc/02/75/78/574027578.db2.gz TWNUSLWBTSLGJZ-JQWIXIFHSA-N 1 2 194.322 2.847 10 30 AFEELO CC(C)[NH2+][C@@H](C#N)C1(C(C)C)CCC1 686133928 574040651 /nfs/dbraw/zinc/04/06/51/574040651.db2.gz RXJWLRCRNJUXJF-NSHDSACASA-N 1 2 194.322 2.703 10 30 AFEELO C=C(C)C[N@@H+](CC(F)F)C(C)C 676041125 486853366 /nfs/dbraw/zinc/85/33/66/486853366.db2.gz BFKXGXHOABELPL-UHFFFAOYSA-N 1 2 177.238 2.538 10 30 AFEELO C=C(C)C[N@H+](CC(F)F)C(C)C 676041125 486853368 /nfs/dbraw/zinc/85/33/68/486853368.db2.gz BFKXGXHOABELPL-UHFFFAOYSA-N 1 2 177.238 2.538 10 30 AFEELO C=C(C)c1ccc2c(c1)[nH+]c(C)n2C 148416182 486959332 /nfs/dbraw/zinc/95/93/32/486959332.db2.gz PKRYHIJOXOHZEA-UHFFFAOYSA-N 1 2 186.258 2.915 10 30 AFEELO C=CC[N@@H+](C)Cc1c(F)cccc1F 681695634 487030690 /nfs/dbraw/zinc/03/06/90/487030690.db2.gz GUQQBFASLFITEF-UHFFFAOYSA-N 1 2 197.228 2.583 10 30 AFEELO C=CC[N@H+](C)Cc1c(F)cccc1F 681695634 487030695 /nfs/dbraw/zinc/03/06/95/487030695.db2.gz GUQQBFASLFITEF-UHFFFAOYSA-N 1 2 197.228 2.583 10 30 AFEELO C=CCCOc1ccc(C)[nH+]c1CC 682706524 487067426 /nfs/dbraw/zinc/06/74/26/487067426.db2.gz ARTXMLPXCVNMQH-UHFFFAOYSA-N 1 2 191.274 2.907 10 30 AFEELO C=C(C)C[N@@H+]1CCCC[C@@H]1C(F)F 306380086 487155110 /nfs/dbraw/zinc/15/51/10/487155110.db2.gz QTIBCRJUVQJSBY-SECBINFHSA-N 1 2 189.249 2.682 10 30 AFEELO C=C(C)C[N@H+]1CCCC[C@@H]1C(F)F 306380086 487155113 /nfs/dbraw/zinc/15/51/13/487155113.db2.gz QTIBCRJUVQJSBY-SECBINFHSA-N 1 2 189.249 2.682 10 30 AFEELO C=C(C)C[N@@H+]1CCCC[C@H]1C(F)F 306380087 487155261 /nfs/dbraw/zinc/15/52/61/487155261.db2.gz QTIBCRJUVQJSBY-VIFPVBQESA-N 1 2 189.249 2.682 10 30 AFEELO C=C(C)C[N@H+]1CCCC[C@H]1C(F)F 306380087 487155265 /nfs/dbraw/zinc/15/52/65/487155265.db2.gz QTIBCRJUVQJSBY-VIFPVBQESA-N 1 2 189.249 2.682 10 30 AFEELO C=CCC[N@@H+](C)c1ccc(OC)cc1 138251132 582485044 /nfs/dbraw/zinc/48/50/44/582485044.db2.gz GMWDPWSBQOHJER-UHFFFAOYSA-N 1 2 191.274 2.708 10 30 AFEELO C=CCC[N@H+](C)c1ccc(OC)cc1 138251132 582485045 /nfs/dbraw/zinc/48/50/45/582485045.db2.gz GMWDPWSBQOHJER-UHFFFAOYSA-N 1 2 191.274 2.708 10 30 AFEELO C[C@@H](F)CC/[NH+]=C/c1ccccc1O 840705496 582534554 /nfs/dbraw/zinc/53/45/54/582534554.db2.gz GHCDKCARKFZNEB-TVNQGELYSA-N 1 2 195.237 2.559 10 30 AFEELO C[C@H](F)CC/[NH+]=C/c1ccccc1O 840705481 582535145 /nfs/dbraw/zinc/53/51/45/582535145.db2.gz GHCDKCARKFZNEB-ITTMYVLYSA-N 1 2 195.237 2.559 10 30 AFEELO C=C(C)c1cn(CC2CC2)c(CC)[nH+]1 906168580 582654888 /nfs/dbraw/zinc/65/48/88/582654888.db2.gz LTTXTLKKYAAZRI-UHFFFAOYSA-N 1 2 190.290 2.889 10 30 AFEELO C[C@@H]1CC[C@H]1/[NH+]=C/c1ccccc1O 794675572 582920250 /nfs/dbraw/zinc/92/02/50/582920250.db2.gz DNPGBCULHCKXIO-QMJOALNRSA-N 1 2 189.258 2.610 10 30 AFEELO C[C@@H]1CC[C@@H]1/[NH+]=C\c1ccccc1O 794675571 582920765 /nfs/dbraw/zinc/92/07/65/582920765.db2.gz DNPGBCULHCKXIO-LXLDMJRISA-N 1 2 189.258 2.610 10 30 AFEELO C[C@@H]1CC[C@H]1/[NH+]=C\c1ccccc1O 794675570 582920991 /nfs/dbraw/zinc/92/09/91/582920991.db2.gz DNPGBCULHCKXIO-ANYQKZHNSA-N 1 2 189.258 2.610 10 30 AFEELO C[C@@H]1CC[C@@H]1/[NH+]=C/c1ccccc1O 794675573 582921173 /nfs/dbraw/zinc/92/11/73/582921173.db2.gz DNPGBCULHCKXIO-QMNRKCHLSA-N 1 2 189.258 2.610 10 30 AFEELO Oc1ccccc1/C=[NH+]/CCCCF 812445123 582970365 /nfs/dbraw/zinc/97/03/65/582970365.db2.gz RIDRWAIRDFZFPC-UKTHLTGXSA-N 1 2 195.237 2.561 10 30 AFEELO Oc1ccccc1/C=[NH+]\CCCCF 812445121 582970026 /nfs/dbraw/zinc/97/00/26/582970026.db2.gz RIDRWAIRDFZFPC-LCYFTJDESA-N 1 2 195.237 2.561 10 30 AFEELO C=C(Cl)C[N@H+]1CCC[C@](C)(F)C1 830206267 583065612 /nfs/dbraw/zinc/06/56/12/583065612.db2.gz IZCXOABWCQSLJN-VIFPVBQESA-N 1 2 191.677 2.563 10 30 AFEELO C=C(Cl)C[N@@H+]1CCC[C@](C)(F)C1 830206267 583065614 /nfs/dbraw/zinc/06/56/14/583065614.db2.gz IZCXOABWCQSLJN-VIFPVBQESA-N 1 2 191.677 2.563 10 30 AFEELO C=C(Cl)C[N@H+]1CCC[C@@](C)(F)C1 830206260 583066342 /nfs/dbraw/zinc/06/63/42/583066342.db2.gz IZCXOABWCQSLJN-SECBINFHSA-N 1 2 191.677 2.563 10 30 AFEELO C=C(Cl)C[N@@H+]1CCC[C@@](C)(F)C1 830206260 583066343 /nfs/dbraw/zinc/06/63/43/583066343.db2.gz IZCXOABWCQSLJN-SECBINFHSA-N 1 2 191.677 2.563 10 30 AFEELO CCCCCC[N@@H+](C1CC1)[C@H](C)C#N 852478919 583207684 /nfs/dbraw/zinc/20/76/84/583207684.db2.gz AUZKIXSGLMAVAV-LLVKDONJSA-N 1 2 194.322 2.943 10 30 AFEELO CCCCCC[N@H+](C1CC1)[C@H](C)C#N 852478919 583207687 /nfs/dbraw/zinc/20/76/87/583207687.db2.gz AUZKIXSGLMAVAV-LLVKDONJSA-N 1 2 194.322 2.943 10 30 AFEELO CCCCCC[N@@H+](C1CC1)[C@@H](C)C#N 852478920 583207761 /nfs/dbraw/zinc/20/77/61/583207761.db2.gz AUZKIXSGLMAVAV-NSHDSACASA-N 1 2 194.322 2.943 10 30 AFEELO CCCCCC[N@H+](C1CC1)[C@@H](C)C#N 852478920 583207762 /nfs/dbraw/zinc/20/77/62/583207762.db2.gz AUZKIXSGLMAVAV-NSHDSACASA-N 1 2 194.322 2.943 10 30 AFEELO C#CCCn1c[nH+]c2cc(C)c(C)cc21 113273083 583247091 /nfs/dbraw/zinc/24/70/91/583247091.db2.gz HLDKJQATOXMMAO-UHFFFAOYSA-N 1 2 198.269 2.676 10 30 AFEELO C=C(C)c1cc[nH+]c2c1CCCC2 864540450 583319736 /nfs/dbraw/zinc/31/97/36/583319736.db2.gz HEIAIOAOUVGJHV-UHFFFAOYSA-N 1 2 173.259 2.994 10 30 AFEELO C=C(C)Cn1c[nH+]c(C(C)(C)C)c1 865374572 583325196 /nfs/dbraw/zinc/32/51/96/583325196.db2.gz HPKPVJOYSVPJLF-UHFFFAOYSA-N 1 2 178.279 2.757 10 30 AFEELO C#CCCCn1c[nH+]c(C(C)(C)C)c1 865376169 583325268 /nfs/dbraw/zinc/32/52/68/583325268.db2.gz CFMHPNCKNONWCU-UHFFFAOYSA-N 1 2 190.290 2.594 10 30 AFEELO C=CC[N@@H+](CC(F)(F)CC)C(C)C 877977494 583402025 /nfs/dbraw/zinc/40/20/25/583402025.db2.gz YKIOVZPCFREFNS-UHFFFAOYSA-N 1 2 191.265 2.928 10 30 AFEELO C=CC[N@H+](CC(F)(F)CC)C(C)C 877977494 583402026 /nfs/dbraw/zinc/40/20/26/583402026.db2.gz YKIOVZPCFREFNS-UHFFFAOYSA-N 1 2 191.265 2.928 10 30 AFEELO C=CC[C@@H](C)[N@@H+]1OC2CCC1CC2 879800923 583424630 /nfs/dbraw/zinc/42/46/30/583424630.db2.gz XQJOCFQQMBFSRZ-KPPDAEKUSA-N 1 2 181.279 2.509 10 30 AFEELO C=CC[C@@H](C)[N@H+]1OC2CCC1CC2 879800923 583424633 /nfs/dbraw/zinc/42/46/33/583424633.db2.gz XQJOCFQQMBFSRZ-KPPDAEKUSA-N 1 2 181.279 2.509 10 30 AFEELO C=CC[C@H](C)[N@@H+]1OC2CCC1CC2 879800924 583424745 /nfs/dbraw/zinc/42/47/45/583424745.db2.gz XQJOCFQQMBFSRZ-WHXUTIOJSA-N 1 2 181.279 2.509 10 30 AFEELO C=CC[C@H](C)[N@H+]1OC2CCC1CC2 879800924 583424747 /nfs/dbraw/zinc/42/47/47/583424747.db2.gz XQJOCFQQMBFSRZ-WHXUTIOJSA-N 1 2 181.279 2.509 10 30 AFEELO C=CCCCCNc1cccc[nH+]1 308176664 491082774 /nfs/dbraw/zinc/08/27/74/491082774.db2.gz AVJURPJHOVGXDC-UHFFFAOYSA-N 1 2 176.263 2.850 10 30 AFEELO C=CCCC[C@H](C)[N@H+](C)CC(F)F 308267951 491090389 /nfs/dbraw/zinc/09/03/89/491090389.db2.gz QSLNLICZYNDRPZ-VIFPVBQESA-N 1 2 191.265 2.928 10 30 AFEELO C=CCCC[C@H](C)[N@@H+](C)CC(F)F 308267951 491090390 /nfs/dbraw/zinc/09/03/90/491090390.db2.gz QSLNLICZYNDRPZ-VIFPVBQESA-N 1 2 191.265 2.928 10 30 AFEELO C=CCCC[C@@H](C)[N@H+](C)CC(F)F 308267950 491090419 /nfs/dbraw/zinc/09/04/19/491090419.db2.gz QSLNLICZYNDRPZ-SECBINFHSA-N 1 2 191.265 2.928 10 30 AFEELO C=CCCC[C@@H](C)[N@@H+](C)CC(F)F 308267950 491090420 /nfs/dbraw/zinc/09/04/20/491090420.db2.gz QSLNLICZYNDRPZ-SECBINFHSA-N 1 2 191.265 2.928 10 30 AFEELO C=C(CC)C[N@@H+]1CCC[C@H]1C(F)F 308314944 491095792 /nfs/dbraw/zinc/09/57/92/491095792.db2.gz UTKVHXGDFSCUOT-VIFPVBQESA-N 1 2 189.249 2.682 10 30 AFEELO C=C(CC)C[N@H+]1CCC[C@H]1C(F)F 308314944 491095794 /nfs/dbraw/zinc/09/57/94/491095794.db2.gz UTKVHXGDFSCUOT-VIFPVBQESA-N 1 2 189.249 2.682 10 30 AFEELO C=CC[N@@H+](CC(F)F)CC1CCC1 308428835 491103619 /nfs/dbraw/zinc/10/36/19/491103619.db2.gz YPXQBGAQPGATMY-UHFFFAOYSA-N 1 2 189.249 2.540 10 30 AFEELO C=CC[N@H+](CC(F)F)CC1CCC1 308428835 491103621 /nfs/dbraw/zinc/10/36/21/491103621.db2.gz YPXQBGAQPGATMY-UHFFFAOYSA-N 1 2 189.249 2.540 10 30 AFEELO CC[C@@H](C#N)[NH2+]C1CCC2(CC1)CC2 307288062 1188806514 /nfs/dbraw/zinc/80/65/14/1188806514.db2.gz WJVYTKBWKJAMGC-JTQLQIEISA-N 1 2 192.306 2.601 10 30 AFEELO CC[C@H](C#N)[NH2+]C1CCC2(CC1)CC2 307288063 1188807005 /nfs/dbraw/zinc/80/70/05/1188807005.db2.gz WJVYTKBWKJAMGC-SNVBAGLBSA-N 1 2 192.306 2.601 10 30 AFEELO CCC1(C)CC[NH+](C(C)(C)C#N)CC1 334676274 133434914 /nfs/dbraw/zinc/43/49/14/133434914.db2.gz IVEPAENXKPQPGA-UHFFFAOYSA-N 1 2 194.322 2.801 10 30 AFEELO CCC[NH2+]C1(C#N)CCCCCCC1 26516563 343089592 /nfs/dbraw/zinc/08/95/92/343089592.db2.gz NWRBSWWCZZWWOD-UHFFFAOYSA-N 1 2 194.322 2.993 10 30 AFEELO CC(C)(C)/[NH+]=C/c1cccc(O)c1 34189500 343112747 /nfs/dbraw/zinc/11/27/47/343112747.db2.gz JDVPRWIPJKRYLC-XYOKQWHBSA-N 1 2 177.247 2.610 10 30 AFEELO CC(C)[C@](C)(C#N)[NH2+]C1CCCCC1 37969254 343182900 /nfs/dbraw/zinc/18/29/00/343182900.db2.gz NRKSFSGFKHMPEP-LBPRGKRZSA-N 1 2 194.322 2.847 10 30 AFEELO CC(C)[C@@](C)(C#N)[NH2+]C1CCCCC1 37969253 343182933 /nfs/dbraw/zinc/18/29/33/343182933.db2.gz NRKSFSGFKHMPEP-GFCCVEGCSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@H](C)[NH2+][C@@]1(C#N)CCC[C@H](C)C1 38064275 343184139 /nfs/dbraw/zinc/18/41/39/343184139.db2.gz QBXAHTMACAZSRU-SRVKXCTJSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@H](C)[NH2+]C1(C#N)CCC(C)CC1 38064569 343184145 /nfs/dbraw/zinc/18/41/45/343184145.db2.gz VKKGOZRVIJVYPM-CXQJBGSLSA-N 1 2 194.322 2.847 10 30 AFEELO C[C@@H](C#N)[N@H+](C)C1CCCCCC1 52684718 343306638 /nfs/dbraw/zinc/30/66/38/343306638.db2.gz TUYUMADSHPXAPX-JTQLQIEISA-N 1 2 180.295 2.553 10 30 AFEELO C[C@@H](C#N)[N@@H+](C)C1CCCCCC1 52684718 343306639 /nfs/dbraw/zinc/30/66/39/343306639.db2.gz TUYUMADSHPXAPX-JTQLQIEISA-N 1 2 180.295 2.553 10 30 AFEELO CC(C)C1CCC(C#N)([NH+](C)C)CC1 54557603 343325897 /nfs/dbraw/zinc/32/58/97/343325897.db2.gz PLNVGOKKEPXCHF-UHFFFAOYSA-N 1 2 194.322 2.657 10 30 AFEELO CC1(C)CCC[C@@](C#N)([NH2+]C2CC2)C1 70629104 343508694 /nfs/dbraw/zinc/50/86/94/343508694.db2.gz NNEPMKGYUSDCRN-GFCCVEGCSA-N 1 2 192.306 2.601 10 30 AFEELO C#CCCn1cc[nH+]c1-c1ccccc1 104363762 166018606 /nfs/dbraw/zinc/01/86/06/166018606.db2.gz QUDDVCSDXHUXED-UHFFFAOYSA-N 1 2 196.253 2.573 10 30 AFEELO C#CCn1c(C(C)C)[nH+]c2ccccc21 39908081 166035224 /nfs/dbraw/zinc/03/52/24/166035224.db2.gz DYUARVXCAXINHY-UHFFFAOYSA-N 1 2 198.269 2.793 10 30 AFEELO C=C(C)CNc1ccc([NH+](C)C)cc1 58479056 166124104 /nfs/dbraw/zinc/12/41/04/166124104.db2.gz MEDBEVDOTCNMSR-UHFFFAOYSA-N 1 2 190.290 2.741 10 30 AFEELO C=C(C)C[NH2+]c1ccc(N(C)C)cc1 58479056 166124106 /nfs/dbraw/zinc/12/41/06/166124106.db2.gz MEDBEVDOTCNMSR-UHFFFAOYSA-N 1 2 190.290 2.741 10 30 AFEELO C=C(C)c1c[nH+]cc(C)c1C 95932110 166132896 /nfs/dbraw/zinc/13/28/96/166132896.db2.gz FDYJYWQKWJCBMU-UHFFFAOYSA-N 1 2 147.221 2.732 10 30 AFEELO C=C(C)n1c(C)[nH+]c2ccccc21 95922612 166132908 /nfs/dbraw/zinc/13/29/08/166132908.db2.gz CVZJOPHAGAPBNR-UHFFFAOYSA-N 1 2 172.231 2.835 10 30 AFEELO C=CCCc1[nH+]cccc1C 39050621 166169007 /nfs/dbraw/zinc/16/90/07/166169007.db2.gz YDNHNKGHAHZBBW-UHFFFAOYSA-N 1 2 147.221 2.509 10 30 AFEELO C=CCCc1cccc(C)[nH+]1 34762638 166169228 /nfs/dbraw/zinc/16/92/28/166169228.db2.gz NAJPTAHUWZKKER-UHFFFAOYSA-N 1 2 147.221 2.509 10 30 AFEELO C=CCCc1ccc(C)c[nH+]1 39050620 166169564 /nfs/dbraw/zinc/16/95/64/166169564.db2.gz YEKGYBXMFLOXJH-UHFFFAOYSA-N 1 2 147.221 2.509 10 30 AFEELO C=CCCc1cc(C)cc[nH+]1 34762642 166169709 /nfs/dbraw/zinc/16/97/09/166169709.db2.gz ZIVYADMFPMNVMV-UHFFFAOYSA-N 1 2 147.221 2.509 10 30 AFEELO C=CCCc1cc[nH+]cc1C 39051868 166171085 /nfs/dbraw/zinc/17/10/85/166171085.db2.gz LCUNOPHVIHVOLG-UHFFFAOYSA-N 1 2 147.221 2.509 10 30 AFEELO C=CCNc1ccc2ccccc2[nH+]1 54614017 166194729 /nfs/dbraw/zinc/19/47/29/166194729.db2.gz FVIPZFOXHOWPDW-UHFFFAOYSA-N 1 2 184.242 2.833 10 30 AFEELO C=CCOc1ccc([NH2+]CC)cc1 39089977 166197239 /nfs/dbraw/zinc/19/72/39/166197239.db2.gz IZENNYDVCSRLBO-UHFFFAOYSA-N 1 2 177.247 2.683 10 30 AFEELO C=CC[C@@]1(C)C[N@@H+]1Cc1ccccc1 90735413 166201946 /nfs/dbraw/zinc/20/19/46/166201946.db2.gz SLKPTGLKEKKADA-LSLKUGRBSA-N 1 2 187.286 2.837 10 30 AFEELO C=CC[C@@]1(C)C[N@H+]1Cc1ccccc1 90735413 166201949 /nfs/dbraw/zinc/20/19/49/166201949.db2.gz SLKPTGLKEKKADA-LSLKUGRBSA-N 1 2 187.286 2.837 10 30 AFEELO C=CC[C@]1(C)C[N@@H+]1Cc1ccccc1 90735414 166205934 /nfs/dbraw/zinc/20/59/34/166205934.db2.gz SLKPTGLKEKKADA-KWCCSABGSA-N 1 2 187.286 2.837 10 30 AFEELO C=CC[C@]1(C)C[N@H+]1Cc1ccccc1 90735414 166205935 /nfs/dbraw/zinc/20/59/35/166205935.db2.gz SLKPTGLKEKKADA-KWCCSABGSA-N 1 2 187.286 2.837 10 30 AFEELO C=CCn1cc[nH+]c1-c1ccccc1 39192810 166210898 /nfs/dbraw/zinc/21/08/98/166210898.db2.gz HALHUSQDSVRAEW-UHFFFAOYSA-N 1 2 184.242 2.736 10 30 AFEELO CC(C)(C#N)[NH2+]C1CCCCCC1 20177747 166340555 /nfs/dbraw/zinc/34/05/55/166340555.db2.gz BUOMMIAQTQMEEA-UHFFFAOYSA-N 1 2 180.295 2.601 10 30 AFEELO CC(C)(C)/N=C/C=[NH+]\C(C)(C)C 102108802 166343720 /nfs/dbraw/zinc/34/37/20/166343720.db2.gz HACCVLBYBQLWMC-NTLHZVPKSA-N 1 2 168.284 2.725 10 30 AFEELO CC(C)(C)/N=C\C=[NH+]\C(C)(C)C 102108802 166343724 /nfs/dbraw/zinc/34/37/24/166343724.db2.gz HACCVLBYBQLWMC-NTLHZVPKSA-N 1 2 168.284 2.725 10 30 AFEELO CC(C)(C)C[C@H](C#N)[NH2+]C1CCCC1 61840223 166355703 /nfs/dbraw/zinc/35/57/03/166355703.db2.gz CJFLIPDTFTWHJW-LLVKDONJSA-N 1 2 194.322 2.847 10 30 AFEELO CC(C)(C)C[C@@H](C#N)[NH2+]C1CCCC1 61840222 166356221 /nfs/dbraw/zinc/35/62/21/166356221.db2.gz CJFLIPDTFTWHJW-NSHDSACASA-N 1 2 194.322 2.847 10 30 AFEELO CC(C)(C)[NH+]=C1C(C)(C)C(=O)C1(C)C 44477840 166359771 /nfs/dbraw/zinc/35/97/71/166359771.db2.gz IVVWNDDFJZYCFM-UHFFFAOYSA-N 1 2 195.306 2.861 10 30 AFEELO CC(C)(C)[NH2+]C1(C#N)CCCCC1 20177966 166363629 /nfs/dbraw/zinc/36/36/29/166363629.db2.gz AJZATQJJGNQWFQ-UHFFFAOYSA-N 1 2 180.295 2.601 10 30 AFEELO CC(C)(C)[NH2+][C@@H](C#N)C1CCCCC1 71506924 166365428 /nfs/dbraw/zinc/36/54/28/166365428.db2.gz SVUVXNLNKMVBPK-NSHDSACASA-N 1 2 194.322 2.847 10 30 AFEELO CC(C)(C)[NH2+][C@H](C#N)C1CCCCC1 71506925 166366647 /nfs/dbraw/zinc/36/66/47/166366647.db2.gz SVUVXNLNKMVBPK-LLVKDONJSA-N 1 2 194.322 2.847 10 30 AFEELO CC(C)C[NH2+][C@]1(C#N)CCCC[C@@H]1C 37939116 166473224 /nfs/dbraw/zinc/47/32/24/166473224.db2.gz SSMDGRISOBKBPC-RYUDHWBXSA-N 1 2 194.322 2.704 10 30 AFEELO CC(C)C[NH2+][C@](C)(C#N)C1CCCC1 54081748 166473945 /nfs/dbraw/zinc/47/39/45/166473945.db2.gz FUYMQSQIYUCTMD-GFCCVEGCSA-N 1 2 194.322 2.704 10 30 AFEELO CCC1CCC(C#N)([NH2+]C2CC2)CC1 36924885 166813637 /nfs/dbraw/zinc/81/36/37/166813637.db2.gz PZOHUDLHIDIRFN-UHFFFAOYSA-N 1 2 192.306 2.601 10 30 AFEELO CCCC1CCC([NH2+][C@@H](C)C#N)CC1 43515524 166839591 /nfs/dbraw/zinc/83/95/91/166839591.db2.gz CSLAQWNOVVIRBB-UNXYVOJBSA-N 1 2 194.322 2.847 10 30 AFEELO CCCCC[C@H](C#N)[NH2+]C1CCCC1 37968359 166872810 /nfs/dbraw/zinc/87/28/10/166872810.db2.gz VKGQSFDKITXTIM-GFCCVEGCSA-N 1 2 194.322 2.991 10 30 AFEELO CCC[C@@H](C#N)[NH2+]C1CCCCC1 37969465 167025922 /nfs/dbraw/zinc/02/59/22/167025922.db2.gz JUKPQWMNPJKRPR-NSHDSACASA-N 1 2 180.295 2.601 10 30 AFEELO CCC[C@@H](C#N)[NH2+]C1CCCCCC1 37970258 167026587 /nfs/dbraw/zinc/02/65/87/167026587.db2.gz PCRIUQBQZLPAPX-LBPRGKRZSA-N 1 2 194.322 2.991 10 30 AFEELO CCC[C@@H](C)C[N@@H+](CC#N)CCC 51320475 167029124 /nfs/dbraw/zinc/02/91/24/167029124.db2.gz OAIIVZJDANAWCK-LLVKDONJSA-N 1 2 182.311 2.658 10 30 AFEELO CCC[C@@H](C)C[N@H+](CC#N)CCC 51320475 167029125 /nfs/dbraw/zinc/02/91/25/167029125.db2.gz OAIIVZJDANAWCK-LLVKDONJSA-N 1 2 182.311 2.658 10 30 AFEELO CCC[C@@H](C)[C@@H](C#N)[NH+](CC)CC 49954319 167035305 /nfs/dbraw/zinc/03/53/05/167035305.db2.gz UEWCVZRYSUGBLN-GHMZBOCLSA-N 1 2 182.311 2.657 10 30 AFEELO CCC[C@@H](C)[C@@H](C#N)[NH+]1CCCCC1 49954327 167035638 /nfs/dbraw/zinc/03/56/38/167035638.db2.gz ULYWBGKWIXUNKL-VXGBXAGGSA-N 1 2 194.322 2.801 10 30 AFEELO CCC[C@@H](C)[C@@H](C#N)[NH2+][C@@H](C)CC 49953634 167035692 /nfs/dbraw/zinc/03/56/92/167035692.db2.gz XVVOPSAKSYDDPS-OUAUKWLOSA-N 1 2 182.311 2.703 10 30 AFEELO CCC[C@@H](C)[C@@H](C#N)[NH2+]C1CCCC1 49953602 167036550 /nfs/dbraw/zinc/03/65/50/167036550.db2.gz IEAHIPAXQLYTJZ-ZYHUDNBSSA-N 1 2 194.322 2.847 10 30 AFEELO CCC[C@@H](C)[C@@H](C#N)[NH2+]CC(C)C 49953446 167037047 /nfs/dbraw/zinc/03/70/47/167037047.db2.gz NNKKLRZQJKVTHB-GHMZBOCLSA-N 1 2 182.311 2.560 10 30 AFEELO CCC[C@@H](C)[C@H](C#N)[NH2+]CC(C)C 49953448 167037689 /nfs/dbraw/zinc/03/76/89/167037689.db2.gz NNKKLRZQJKVTHB-MNOVXSKESA-N 1 2 182.311 2.560 10 30 AFEELO CCC[C@@H](C)[C@H](C#N)[NH2+]C1CCCC1 49953604 167039135 /nfs/dbraw/zinc/03/91/35/167039135.db2.gz IEAHIPAXQLYTJZ-PWSUYJOCSA-N 1 2 194.322 2.847 10 30 AFEELO CCC[C@@H](C)[C@H](C#N)[NH+](CC)CC 49954321 167039502 /nfs/dbraw/zinc/03/95/02/167039502.db2.gz UEWCVZRYSUGBLN-MNOVXSKESA-N 1 2 182.311 2.657 10 30 AFEELO CCC[C@@H](C)[C@H](C#N)[NH2+][C@@H](C)CC 49953636 167039585 /nfs/dbraw/zinc/03/95/85/167039585.db2.gz XVVOPSAKSYDDPS-VWYCJHECSA-N 1 2 182.311 2.703 10 30 AFEELO CCC[C@@H](C)[C@H](C#N)[NH+]1CCCCC1 49954329 167039853 /nfs/dbraw/zinc/03/98/53/167039853.db2.gz ULYWBGKWIXUNKL-NEPJUHHUSA-N 1 2 194.322 2.801 10 30 AFEELO CCC[C@@](C)(C#N)[NH2+]C1CCCCC1 37969475 167054968 /nfs/dbraw/zinc/05/49/68/167054968.db2.gz BBZCLVPNYSZHRR-LBPRGKRZSA-N 1 2 194.322 2.991 10 30 AFEELO CCC[C@@](C)(C#N)[NH2+]C1CCCC1 37968514 167055404 /nfs/dbraw/zinc/05/54/04/167055404.db2.gz XYHGWYUGPSOWLO-NSHDSACASA-N 1 2 180.295 2.601 10 30 AFEELO CCC[C@H](C#N)[NH2+]C1CCCCC1 37969466 167061416 /nfs/dbraw/zinc/06/14/16/167061416.db2.gz JUKPQWMNPJKRPR-LLVKDONJSA-N 1 2 180.295 2.601 10 30 AFEELO CCC[C@H](C#N)[NH2+]C1CCCCCC1 37970259 167061706 /nfs/dbraw/zinc/06/17/06/167061706.db2.gz PCRIUQBQZLPAPX-GFCCVEGCSA-N 1 2 194.322 2.991 10 30 AFEELO CCC[C@H](C)C[N@@H+](CC#N)CCC 51320478 167064075 /nfs/dbraw/zinc/06/40/75/167064075.db2.gz OAIIVZJDANAWCK-NSHDSACASA-N 1 2 182.311 2.658 10 30 AFEELO CCC[C@H](C)C[N@H+](CC#N)CCC 51320478 167064078 /nfs/dbraw/zinc/06/40/78/167064078.db2.gz OAIIVZJDANAWCK-NSHDSACASA-N 1 2 182.311 2.658 10 30 AFEELO CCC[C@H](C)[C@H](C#N)[NH+]1CCCCC1 49954330 167072584 /nfs/dbraw/zinc/07/25/84/167072584.db2.gz ULYWBGKWIXUNKL-RYUDHWBXSA-N 1 2 194.322 2.801 10 30 AFEELO CCC[C@H](C)[C@H](C#N)[NH2+]C1CCCC1 49953605 167072881 /nfs/dbraw/zinc/07/28/81/167072881.db2.gz IEAHIPAXQLYTJZ-JQWIXIFHSA-N 1 2 194.322 2.847 10 30 AFEELO CCC[C@H](C)[C@@H](C#N)[NH2+]C1CCCC1 49953603 167072903 /nfs/dbraw/zinc/07/29/03/167072903.db2.gz IEAHIPAXQLYTJZ-CMPLNLGQSA-N 1 2 194.322 2.847 10 30 AFEELO CCC[C@H](C)[C@H](C#N)[NH+](CC)CC 49954322 167072996 /nfs/dbraw/zinc/07/29/96/167072996.db2.gz UEWCVZRYSUGBLN-QWRGUYRKSA-N 1 2 182.311 2.657 10 30 AFEELO CCC[C@H](C)[C@H](C#N)[NH2+][C@@H](C)CC 49953637 167073045 /nfs/dbraw/zinc/07/30/45/167073045.db2.gz XVVOPSAKSYDDPS-DCAQKATOSA-N 1 2 182.311 2.703 10 30 AFEELO CCC[C@H](C)[C@@H](C#N)[NH2+]CC(C)C 49953447 167073281 /nfs/dbraw/zinc/07/32/81/167073281.db2.gz NNKKLRZQJKVTHB-WDEREUQCSA-N 1 2 182.311 2.560 10 30 AFEELO CCC[C@H](C)[C@H](C#N)[NH2+]CC(C)C 49953449 167074395 /nfs/dbraw/zinc/07/43/95/167074395.db2.gz NNKKLRZQJKVTHB-QWRGUYRKSA-N 1 2 182.311 2.560 10 30 AFEELO CCC[C@H](C)[C@@H](C#N)[NH+]1CCCCC1 49954328 167074400 /nfs/dbraw/zinc/07/44/00/167074400.db2.gz ULYWBGKWIXUNKL-NWDGAFQWSA-N 1 2 194.322 2.801 10 30 AFEELO CCC[C@H](C)[C@@H](C#N)[NH2+][C@@H](C)CC 49953635 167074939 /nfs/dbraw/zinc/07/49/39/167074939.db2.gz XVVOPSAKSYDDPS-GARJFASQSA-N 1 2 182.311 2.703 10 30 AFEELO CCC[C@H](C)[C@@H](C#N)[NH+](CC)CC 49954320 167074996 /nfs/dbraw/zinc/07/49/96/167074996.db2.gz UEWCVZRYSUGBLN-WDEREUQCSA-N 1 2 182.311 2.657 10 30 AFEELO CCC[C@](C)(C#N)[NH2+]C1CCCC1 37968515 167090938 /nfs/dbraw/zinc/09/09/38/167090938.db2.gz XYHGWYUGPSOWLO-LLVKDONJSA-N 1 2 180.295 2.601 10 30 AFEELO CCC[C@](C)(C#N)[NH2+]C1CCCCC1 37969476 167091677 /nfs/dbraw/zinc/09/16/77/167091677.db2.gz BBZCLVPNYSZHRR-GFCCVEGCSA-N 1 2 194.322 2.991 10 30 AFEELO CCCc1[nH+]c2ccccc2n1CC#N 31936347 167112373 /nfs/dbraw/zinc/11/23/73/167112373.db2.gz YXXUHOKDLRTAAE-UHFFFAOYSA-N 1 2 199.257 2.512 10 30 AFEELO CC[NH2+]C1(C#N)CCCCCCC1 34939496 167254818 /nfs/dbraw/zinc/25/48/18/167254818.db2.gz XNDFEYIIUVBVBJ-UHFFFAOYSA-N 1 2 180.295 2.603 10 30 AFEELO CC[NH2+]C1(C#N)CCC(C(C)C)CC1 54557242 167255353 /nfs/dbraw/zinc/25/53/53/167255353.db2.gz GCTCURZBPSGBKZ-UHFFFAOYSA-N 1 2 194.322 2.704 10 30 AFEELO CC[NH2+][C@@]1(C#N)C[C@@H](C)CC(C)(C)C1 20378957 167293711 /nfs/dbraw/zinc/29/37/11/167293711.db2.gz GMNJKCPCSMSRBZ-JQWIXIFHSA-N 1 2 194.322 2.704 10 30 AFEELO CC[NH2+][C@@]1(C#N)C[C@H](C)CC(C)(C)C1 20378963 167294795 /nfs/dbraw/zinc/29/47/95/167294795.db2.gz GMNJKCPCSMSRBZ-PWSUYJOCSA-N 1 2 194.322 2.704 10 30 AFEELO CC[NH2+][C@]1(C#N)C[C@H](C)CC(C)(C)C1 20378966 167303629 /nfs/dbraw/zinc/30/36/29/167303629.db2.gz GMNJKCPCSMSRBZ-ZYHUDNBSSA-N 1 2 194.322 2.704 10 30 AFEELO CC[NH2+][C@]1(C#N)C[C@@H](C)CC(C)(C)C1 20378960 167305647 /nfs/dbraw/zinc/30/56/47/167305647.db2.gz GMNJKCPCSMSRBZ-CMPLNLGQSA-N 1 2 194.322 2.704 10 30 AFEELO CC[C@@H](C#N)[NH2+]C1CCCCCC1 37970256 167443695 /nfs/dbraw/zinc/44/36/95/167443695.db2.gz GWNNSSAVRLYVJJ-JTQLQIEISA-N 1 2 180.295 2.601 10 30 AFEELO CC[C@H](C#N)[NH2+]CCC1=CCCCC1 51756434 167587445 /nfs/dbraw/zinc/58/74/45/167587445.db2.gz GSXHIYAPEQBSKU-GFCCVEGCSA-N 1 2 192.306 2.769 10 30 AFEELO CC[C@H](C)[C@@H](C#N)[NH2+]C1CCCCC1 41050174 167623375 /nfs/dbraw/zinc/62/33/75/167623375.db2.gz RJBYFZAQVHLTBF-CMPLNLGQSA-N 1 2 194.322 2.847 10 30 AFEELO C[NH2+]C1(C#N)CCC(C(C)(C)C)CC1 20378203 167982042 /nfs/dbraw/zinc/98/20/42/167982042.db2.gz CTYAURCHRNWYBM-UHFFFAOYSA-N 1 2 194.322 2.704 10 30 AFEELO C[NH2+][C@@]1(C#N)CCCC[C@H]1C(C)(C)C 96867815 168044588 /nfs/dbraw/zinc/04/45/88/168044588.db2.gz FAOONOFXCUQAOC-CMPLNLGQSA-N 1 2 194.322 2.704 10 30 AFEELO C[NH2+][C@@]1(C#N)CCCC[C@@H]1C(C)(C)C 96867816 168045990 /nfs/dbraw/zinc/04/59/90/168045990.db2.gz FAOONOFXCUQAOC-ZYHUDNBSSA-N 1 2 194.322 2.704 10 30 AFEELO C[NH2+][C@]1(C#N)C[C@@H](C)CC[C@@H]1C(C)C 20378343 168060906 /nfs/dbraw/zinc/06/09/06/168060906.db2.gz OGANNINVFLBCDP-TUAOUCFPSA-N 1 2 194.322 2.560 10 30 AFEELO C[NH2+][C@]1(C#N)CCCC[C@@H]1C(C)(C)C 96867814 168061292 /nfs/dbraw/zinc/06/12/92/168061292.db2.gz FAOONOFXCUQAOC-PWSUYJOCSA-N 1 2 194.322 2.704 10 30 AFEELO C[NH2+][C@]1(C#N)C[C@H](C)CC[C@@H]1C(C)C 20378351 168061416 /nfs/dbraw/zinc/06/14/16/168061416.db2.gz OGANNINVFLBCDP-UTUOFQBUSA-N 1 2 194.322 2.560 10 30 AFEELO C[NH2+][C@]1(C#N)CCCC[C@H]1C(C)(C)C 96867813 168062064 /nfs/dbraw/zinc/06/20/64/168062064.db2.gz FAOONOFXCUQAOC-JQWIXIFHSA-N 1 2 194.322 2.704 10 30 AFEELO C[C@@H](C#N)[NH+]1CCC(C(C)(C)C)CC1 50347053 168321234 /nfs/dbraw/zinc/32/12/34/168321234.db2.gz IENVRRRSWXSPIO-JTQLQIEISA-N 1 2 194.322 2.657 10 30 AFEELO C[C@@H](C#N)[NH2+]C1CCCCCCC1 43514233 168324507 /nfs/dbraw/zinc/32/45/07/168324507.db2.gz OLEXLVADOSJNTJ-JTQLQIEISA-N 1 2 180.295 2.601 10 30 AFEELO C[C@@H](C#N)n1cc[nH+]c1-c1ccccc1 43522471 168325233 /nfs/dbraw/zinc/32/52/33/168325233.db2.gz LZRQJPJABAXNCV-JTQLQIEISA-N 1 2 197.241 2.635 10 30 AFEELO N#C[C@@H]1CCCCC[C@H]1n1cc[nH+]c1 37147400 169107493 /nfs/dbraw/zinc/10/74/93/169107493.db2.gz LWWVSQACMOLBMZ-WDEREUQCSA-N 1 2 189.262 2.528 10 30 AFEELO N#C[C@@H]1CCCCC[C@@H]1n1cc[nH+]c1 37147401 169108142 /nfs/dbraw/zinc/10/81/42/169108142.db2.gz LWWVSQACMOLBMZ-QWRGUYRKSA-N 1 2 189.262 2.528 10 30 AFEELO N#C[C@H]1CCCCC[C@@H]1n1cc[nH+]c1 37147399 169112176 /nfs/dbraw/zinc/11/21/76/169112176.db2.gz LWWVSQACMOLBMZ-MNOVXSKESA-N 1 2 189.262 2.528 10 30 AFEELO N#C[C@H]1CCCCC[C@H]1n1cc[nH+]c1 37147398 169112197 /nfs/dbraw/zinc/11/21/97/169112197.db2.gz LWWVSQACMOLBMZ-GHMZBOCLSA-N 1 2 189.262 2.528 10 30 AFEELO N#CC1([NH2+]C2CCCCC2)CCCC1 20177788 171037983 /nfs/dbraw/zinc/03/79/83/171037983.db2.gz AJISZDXYMQRGRL-UHFFFAOYSA-N 1 2 192.306 2.745 10 30 AFEELO N#CC1([NH2+]C2CCCC2)CCCCC1 20177891 171038120 /nfs/dbraw/zinc/03/81/20/171038120.db2.gz MEJDCBFTEVFVOR-UHFFFAOYSA-N 1 2 192.306 2.745 10 30 AFEELO N#CCCCCCCCn1cc[nH+]c1 39320294 171046636 /nfs/dbraw/zinc/04/66/36/171046636.db2.gz IZBHHQXNLMSWOR-UHFFFAOYSA-N 1 2 191.278 2.747 10 30 AFEELO N#CC1([NH2+]C2CC2)CCCCCCC1 34973907 171057325 /nfs/dbraw/zinc/05/73/25/171057325.db2.gz MQBBSBZDKIZIGM-UHFFFAOYSA-N 1 2 192.306 2.745 10 30 AFEELO N#CC1([NH2+]CC2CC2)CCCCCC1 37946804 171067056 /nfs/dbraw/zinc/06/70/56/171067056.db2.gz MKMCYWSPRNDKJV-UHFFFAOYSA-N 1 2 192.306 2.603 10 30 AFEELO N#CC1([NH2+]C2CCCCCC2)CCC1 37970332 171067436 /nfs/dbraw/zinc/06/74/36/171067436.db2.gz WNHQYZCRWPCETJ-UHFFFAOYSA-N 1 2 192.306 2.745 10 30 AFEELO N#C[C@H]([NH2+]C1CCCCCC1)C1CC1 41047451 171082565 /nfs/dbraw/zinc/08/25/65/171082565.db2.gz OCMVNKDTIZRDIX-LBPRGKRZSA-N 1 2 192.306 2.601 10 30 AFEELO N#C[C@@H]([NH2+]C1CCCCCC1)C1CC1 41047452 171082685 /nfs/dbraw/zinc/08/26/85/171082685.db2.gz OCMVNKDTIZRDIX-GFCCVEGCSA-N 1 2 192.306 2.601 10 30 AFEELO N#CCCCCc1[nH]c2ccccc2[nH+]1 44550793 171090665 /nfs/dbraw/zinc/09/06/65/171090665.db2.gz PBBQJYCBNGAGBS-UHFFFAOYSA-N 1 2 199.257 2.799 10 30 AFEELO N#C[C@@H]([NH2+]C1CCCC1)C1CCCC1 50272582 171095551 /nfs/dbraw/zinc/09/55/51/171095551.db2.gz RNILTRLNDSTZNM-GFCCVEGCSA-N 1 2 192.306 2.601 10 30 AFEELO N#C[C@H]([NH2+]C1CCCC1)C1CCCC1 50272583 171095763 /nfs/dbraw/zinc/09/57/63/171095763.db2.gz RNILTRLNDSTZNM-LBPRGKRZSA-N 1 2 192.306 2.601 10 30 AFEELO N#Cc1ccc(Oc2cc[nH+]cc2)cc1 73313631 171111902 /nfs/dbraw/zinc/11/19/02/171111902.db2.gz JJRURZUTCNAXKT-UHFFFAOYSA-N 1 2 196.209 2.746 10 30 AFEELO C#CCCCn1c(C)[nH+]c2ccccc21 95921941 171186073 /nfs/dbraw/zinc/18/60/73/171186073.db2.gz HCEMPSNLHFSJTI-UHFFFAOYSA-N 1 2 198.269 2.758 10 30 AFEELO C=C(c1[nH+]cnc2[nH]ccc12)C(C)C 35993899 171213164 /nfs/dbraw/zinc/21/31/64/171213164.db2.gz CKIFLZBNHIELTM-UHFFFAOYSA-N 1 2 187.246 2.627 10 30 AFEELO CCC[NH2+][C@]1(C#N)CCC[C@H](C)[C@H]1C 250823436 344841953 /nfs/dbraw/zinc/84/19/53/344841953.db2.gz OZNSAZLXFBVHKW-TUAOUCFPSA-N 1 2 194.322 2.704 10 30 AFEELO CCC[NH2+][C@]1(C#N)CC[C@H](C)C[C@H]1C 250888833 344842927 /nfs/dbraw/zinc/84/29/27/344842927.db2.gz WFGCVEBJNBGICR-TUAOUCFPSA-N 1 2 194.322 2.704 10 30 AFEELO CCC[NH2+][C@]1(C#N)C[C@@H](C)C[C@@H](C)C1 250824334 344841895 /nfs/dbraw/zinc/84/18/95/344841895.db2.gz PCOHCYZSFWISSM-GDNZZTSVSA-N 1 2 194.322 2.704 10 30 AFEELO CCC[NH2+][C@]1(C#N)CCC[C@@H](C)[C@H]1C 250823442 344841921 /nfs/dbraw/zinc/84/19/21/344841921.db2.gz OZNSAZLXFBVHKW-UTUOFQBUSA-N 1 2 194.322 2.704 10 30 AFEELO CCC[C@@H]1CCCC[N@@H+]1[C@H](C)C#N 251282368 344851490 /nfs/dbraw/zinc/85/14/90/344851490.db2.gz FGLJTTKFTPWIMG-GHMZBOCLSA-N 1 2 180.295 2.553 10 30 AFEELO CCC[C@@H]1CCCC[N@H+]1[C@H](C)C#N 251282368 344851491 /nfs/dbraw/zinc/85/14/91/344851491.db2.gz FGLJTTKFTPWIMG-GHMZBOCLSA-N 1 2 180.295 2.553 10 30 AFEELO CC(C)[NH2+][C@]1(C#N)CC[C@@H](C)[C@H](C)C1 251715032 344868021 /nfs/dbraw/zinc/86/80/21/344868021.db2.gz IHEDZGIKYMNKKB-IJLUTSLNSA-N 1 2 194.322 2.703 10 30 AFEELO C[C@@H]1CC[C@]1(C#N)[NH2+]C1CCCCC1 306221787 345114236 /nfs/dbraw/zinc/11/42/36/345114236.db2.gz JQXACXIYIJLYOO-ZYHUDNBSSA-N 1 2 192.306 2.601 10 30 AFEELO C/C(=C\Cl)C[C@]1(C#N)CCCC[NH2+]1 307675576 346177000 /nfs/dbraw/zinc/17/70/00/346177000.db2.gz GKVCJUJWAHNVMG-PCYYEKQGSA-N 1 2 198.697 2.555 10 30 AFEELO C/C(=C\Cl)C[C@@]1(C#N)CCCC[NH2+]1 307675578 346177024 /nfs/dbraw/zinc/17/70/24/346177024.db2.gz GKVCJUJWAHNVMG-TTZKWOQHSA-N 1 2 198.697 2.555 10 30 AFEELO C/C(=C/Cl)C[C@@]1(C#N)CCCC[NH2+]1 308203783 346269650 /nfs/dbraw/zinc/26/96/50/346269650.db2.gz GKVCJUJWAHNVMG-UJICNMFASA-N 1 2 198.697 2.555 10 30 AFEELO C[N@@H+](CC#N)C[C@H]1CCCCC1(C)C 595303750 346857986 /nfs/dbraw/zinc/85/79/86/346857986.db2.gz BCHYEHRNVAQSPR-LLVKDONJSA-N 1 2 194.322 2.658 10 30 AFEELO C[N@@H+](CC#N)C[C@@H]1CCCCC1(C)C 595303751 346858064 /nfs/dbraw/zinc/85/80/64/346858064.db2.gz BCHYEHRNVAQSPR-NSHDSACASA-N 1 2 194.322 2.658 10 30 AFEELO N#CC[N@@H+]1CCCC[C@@H]1CC1CCC1 595868053 346869991 /nfs/dbraw/zinc/86/99/91/346869991.db2.gz RDRUGHQLYLEBCF-GFCCVEGCSA-N 1 2 192.306 2.555 10 30 AFEELO C=CCCCN(C)c1cc[nH+]cc1F 641386211 347571595 /nfs/dbraw/zinc/57/15/95/347571595.db2.gz XHNILCUIJHKPBT-UHFFFAOYSA-N 1 2 194.253 2.623 10 30 AFEELO N#C[C@@]1(C2CCCCC2)CCCC[NH2+]1 258564583 351864367 /nfs/dbraw/zinc/86/43/67/351864367.db2.gz FXNIWKMHZPFAJP-GFCCVEGCSA-N 1 2 192.306 2.603 10 30 AFEELO COc1cccc(/C=[NH+]/C(C)(C)C)c1 4800395 342995896 /nfs/dbraw/zinc/99/58/96/342995896.db2.gz ISJBBPIBIMOREO-UKTHLTGXSA-N 1 2 191.274 2.913 10 30 AFEELO CN(C)/C=[NH+]/c1ccccc1Cl 5957187 343010398 /nfs/dbraw/zinc/01/03/98/343010398.db2.gz APKRGIKHQYEHGV-YRNVUSSQSA-N 1 2 182.654 2.561 10 30 AFEELO CCC[NH2+]C1(C#N)CCC(CC)CC1 34939521 343126263 /nfs/dbraw/zinc/12/62/63/343126263.db2.gz JUZRBAYAHVERKR-UHFFFAOYSA-N 1 2 194.322 2.849 10 30 AFEELO CCC[NH2+]C1(C#N)CCCCCC1 34939507 343126457 /nfs/dbraw/zinc/12/64/57/343126457.db2.gz ZIWJDOOAAKOJFV-UHFFFAOYSA-N 1 2 180.295 2.603 10 30 AFEELO CC(C)[NH2+]C1(C#N)CCCCCC1 36924676 343154680 /nfs/dbraw/zinc/15/46/80/343154680.db2.gz YZNLXLPFHGAEIE-UHFFFAOYSA-N 1 2 180.295 2.601 10 30 AFEELO CCC1CCC(C#N)([NH2+]C(C)C)CC1 36924731 343154797 /nfs/dbraw/zinc/15/47/97/343154797.db2.gz CDGYMFRJTQPJKB-UHFFFAOYSA-N 1 2 194.322 2.847 10 30 AFEELO CC(C)[NH2+][C@@](C)(C#N)C1CCCCC1 37367015 343166406 /nfs/dbraw/zinc/16/64/06/343166406.db2.gz YKUBCYPMSVNWSB-LBPRGKRZSA-N 1 2 194.322 2.847 10 30 AFEELO C[C@](C#N)([NH2+]C1CC1)C1CCCCC1 37367019 343166526 /nfs/dbraw/zinc/16/65/26/343166526.db2.gz GBAFCBKZWLNLRG-GFCCVEGCSA-N 1 2 192.306 2.601 10 30 AFEELO CC(C)[NH2+][C@](C)(C#N)C1CCCCC1 37367017 343166559 /nfs/dbraw/zinc/16/65/59/343166559.db2.gz YKUBCYPMSVNWSB-GFCCVEGCSA-N 1 2 194.322 2.847 10 30 AFEELO CCCC1CCC(C#N)([NH+](C)C)CC1 37743290 343177045 /nfs/dbraw/zinc/17/70/45/343177045.db2.gz JULXKZNOWFUUGY-UHFFFAOYSA-N 1 2 194.322 2.801 10 30 AFEELO CC[C@](C)(C#N)[NH2+]C1CCCCCC1 37970281 343182893 /nfs/dbraw/zinc/18/28/93/343182893.db2.gz DBOBEPNWRUIMMK-GFCCVEGCSA-N 1 2 194.322 2.991 10 30 AFEELO CC[C@@](C)(C#N)[NH2+]C1CCCCCC1 37970280 343183134 /nfs/dbraw/zinc/18/31/34/343183134.db2.gz DBOBEPNWRUIMMK-LBPRGKRZSA-N 1 2 194.322 2.991 10 30 AFEELO CC[C@H](C)[NH2+][C@@]1(C#N)CCCC[C@@H]1C 38064259 343183898 /nfs/dbraw/zinc/18/38/98/343183898.db2.gz QNHQXEWWLSBUSD-SDDRHHMPSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@H](C)[NH2+]C1(C#N)CCCCCC1 38064571 343183940 /nfs/dbraw/zinc/18/39/40/343183940.db2.gz AWVQGCMNTABBNH-NSHDSACASA-N 1 2 194.322 2.991 10 30 AFEELO CC[C@H](C)[NH2+][C@]1(C#N)CCCC[C@@H]1C 38064257 343184009 /nfs/dbraw/zinc/18/40/09/343184009.db2.gz QNHQXEWWLSBUSD-SRVKXCTJSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@H](C)[NH2+][C@]1(C#N)CCC[C@H](C)C1 38064273 343184039 /nfs/dbraw/zinc/18/40/39/343184039.db2.gz QBXAHTMACAZSRU-SDDRHHMPSA-N 1 2 194.322 2.847 10 30 AFEELO CC(C)[C@H](C#N)[NH2+]C1CCCCCC1 41049510 343227181 /nfs/dbraw/zinc/22/71/81/343227181.db2.gz YZAAKDFASUYPHW-LBPRGKRZSA-N 1 2 194.322 2.847 10 30 AFEELO CC(C)[C@@H](C#N)[NH2+]C1CCCCCC1 41049509 343227316 /nfs/dbraw/zinc/22/73/16/343227316.db2.gz YZAAKDFASUYPHW-GFCCVEGCSA-N 1 2 194.322 2.847 10 30 AFEELO CC(C)(C)[C@H](C#N)[NH2+]C1CCCCC1 41051759 343228114 /nfs/dbraw/zinc/22/81/14/343228114.db2.gz KJRCDBQTPPGUMX-NSHDSACASA-N 1 2 194.322 2.847 10 30 AFEELO CC(C)(C)[C@@H](C#N)[NH2+]C1CCCCC1 41051758 343228275 /nfs/dbraw/zinc/22/82/75/343228275.db2.gz KJRCDBQTPPGUMX-LLVKDONJSA-N 1 2 194.322 2.847 10 30 AFEELO C[C@H](C#N)[NH2+]C1CCCCCCC1 43514234 343253177 /nfs/dbraw/zinc/25/31/77/343253177.db2.gz OLEXLVADOSJNTJ-SNVBAGLBSA-N 1 2 180.295 2.601 10 30 AFEELO CC[C@H](C#N)[NH2+]C1CCCCCCC1 43539193 343254885 /nfs/dbraw/zinc/25/48/85/343254885.db2.gz WUFHAXBXUNESBZ-LLVKDONJSA-N 1 2 194.322 2.991 10 30 AFEELO C[C@H](C#N)[NH+]1CCC(C(C)(C)C)CC1 50347055 343282218 /nfs/dbraw/zinc/28/22/18/343282218.db2.gz IENVRRRSWXSPIO-SNVBAGLBSA-N 1 2 194.322 2.657 10 30 AFEELO C[C@H](C#N)[N@H+](C)C1CCCCCC1 52684719 343306596 /nfs/dbraw/zinc/30/65/96/343306596.db2.gz TUYUMADSHPXAPX-SNVBAGLBSA-N 1 2 180.295 2.553 10 30 AFEELO C[C@H](C#N)[N@@H+](C)C1CCCCCC1 52684719 343306597 /nfs/dbraw/zinc/30/65/97/343306597.db2.gz TUYUMADSHPXAPX-SNVBAGLBSA-N 1 2 180.295 2.553 10 30 AFEELO CC(C)(C)C[C@@H](C#N)[NH+]1CCCCC1 61840634 343364943 /nfs/dbraw/zinc/36/49/43/343364943.db2.gz WJOOAZHFCWKWRF-NSHDSACASA-N 1 2 194.322 2.801 10 30 AFEELO CC(C)(C)C[C@H](C#N)[NH+]1CCCCC1 61840635 343364979 /nfs/dbraw/zinc/36/49/79/343364979.db2.gz WJOOAZHFCWKWRF-LLVKDONJSA-N 1 2 194.322 2.801 10 30 AFEELO CC[C@H](C#N)[NH+]1CCC(C)(CC)CC1 62953777 343388241 /nfs/dbraw/zinc/38/82/41/343388241.db2.gz FCQGNVFBRMVLBI-LLVKDONJSA-N 1 2 194.322 2.801 10 30 AFEELO CC[C@@H](C#N)[NH+]1CCC(C)(CC)CC1 62953776 343388377 /nfs/dbraw/zinc/38/83/77/343388377.db2.gz FCQGNVFBRMVLBI-NSHDSACASA-N 1 2 194.322 2.801 10 30 AFEELO CC(C)C(=[NH2+])Nc1c(F)cccc1F 62989470 343392496 /nfs/dbraw/zinc/39/24/96/343392496.db2.gz RVPBWSUDSCHAFS-UHFFFAOYSA-N 1 2 198.216 2.610 10 30 AFEELO CC[C@@H]1CCC[C@@](C#N)([NH2+]C2CC2)C1 70563195 343491730 /nfs/dbraw/zinc/49/17/30/343491730.db2.gz SSWSVRUNBDJRCE-ZYHUDNBSSA-N 1 2 192.306 2.601 10 30 AFEELO CC[C@H]1CCC[C@@](C#N)([NH2+]C2CC2)C1 70563196 343491743 /nfs/dbraw/zinc/49/17/43/343491743.db2.gz SSWSVRUNBDJRCE-CMPLNLGQSA-N 1 2 192.306 2.601 10 30 AFEELO CC[C@@H]1CCC[C@](C#N)([NH2+]C2CC2)C1 70563197 343491758 /nfs/dbraw/zinc/49/17/58/343491758.db2.gz SSWSVRUNBDJRCE-PWSUYJOCSA-N 1 2 192.306 2.601 10 30 AFEELO CC[C@H]1CCC[C@](C#N)([NH2+]C2CC2)C1 70563198 343491804 /nfs/dbraw/zinc/49/18/04/343491804.db2.gz SSWSVRUNBDJRCE-JQWIXIFHSA-N 1 2 192.306 2.601 10 30 AFEELO CC[C@@H]1CCC[C@H]([N@H+](C)[C@@H](C)C#N)C1 70565106 343492765 /nfs/dbraw/zinc/49/27/65/343492765.db2.gz GKQNKBZHSYHTPE-TUAOUCFPSA-N 1 2 194.322 2.799 10 30 AFEELO CC[C@@H]1CCC[C@H]([N@@H+](C)[C@@H](C)C#N)C1 70565106 343492766 /nfs/dbraw/zinc/49/27/66/343492766.db2.gz GKQNKBZHSYHTPE-TUAOUCFPSA-N 1 2 194.322 2.799 10 30 AFEELO CC[C@@H]1CCC[C@@H]([N@H+](C)[C@@H](C)C#N)C1 70565108 343492971 /nfs/dbraw/zinc/49/29/71/343492971.db2.gz GKQNKBZHSYHTPE-QJPTWQEYSA-N 1 2 194.322 2.799 10 30 AFEELO CC[C@@H]1CCC[C@@H]([N@@H+](C)[C@@H](C)C#N)C1 70565108 343492973 /nfs/dbraw/zinc/49/29/73/343492973.db2.gz GKQNKBZHSYHTPE-QJPTWQEYSA-N 1 2 194.322 2.799 10 30 AFEELO CC[C@@H]1CCCC[C@]1(C#N)[NH2+]C(C)C 70568450 343493702 /nfs/dbraw/zinc/49/37/02/343493702.db2.gz NCLGHOFZKWPNHH-VXGBXAGGSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@@H]1CCCC[C@@]1(C#N)[NH2+]C(C)C 70568448 343493735 /nfs/dbraw/zinc/49/37/35/343493735.db2.gz NCLGHOFZKWPNHH-NEPJUHHUSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@H]1CCCC[C@]1(C#N)[NH2+]C(C)C 70568451 343493815 /nfs/dbraw/zinc/49/38/15/343493815.db2.gz NCLGHOFZKWPNHH-NWDGAFQWSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@H]1CCCC[C@@]1(C#N)[NH2+]C(C)C 70568449 343493898 /nfs/dbraw/zinc/49/38/98/343493898.db2.gz NCLGHOFZKWPNHH-RYUDHWBXSA-N 1 2 194.322 2.847 10 30 AFEELO CC(C)(C)[C@H]1CCC[N@H+](CC#N)CC1 70587738 343497884 /nfs/dbraw/zinc/49/78/84/343497884.db2.gz CKGFWVVMGGDCHC-NSHDSACASA-N 1 2 194.322 2.658 10 30 AFEELO CC(C)(C)[C@H]1CCC[N@@H+](CC#N)CC1 70587738 343497886 /nfs/dbraw/zinc/49/78/86/343497886.db2.gz CKGFWVVMGGDCHC-NSHDSACASA-N 1 2 194.322 2.658 10 30 AFEELO CC(C)(C)[C@@H]1CCC[N@H+](CC#N)CC1 70587737 343497932 /nfs/dbraw/zinc/49/79/32/343497932.db2.gz CKGFWVVMGGDCHC-LLVKDONJSA-N 1 2 194.322 2.658 10 30 AFEELO CC(C)(C)[C@@H]1CCC[N@@H+](CC#N)CC1 70587737 343497934 /nfs/dbraw/zinc/49/79/34/343497934.db2.gz CKGFWVVMGGDCHC-LLVKDONJSA-N 1 2 194.322 2.658 10 30 AFEELO CCC[C@H]1CCC[N@@H+]([C@@H](C)C#N)CC1 70613480 343502869 /nfs/dbraw/zinc/50/28/69/343502869.db2.gz DSJVJOMXYBZWCA-RYUDHWBXSA-N 1 2 194.322 2.801 10 30 AFEELO CCC[C@H]1CCC[N@H+]([C@@H](C)C#N)CC1 70613480 343502871 /nfs/dbraw/zinc/50/28/71/343502871.db2.gz DSJVJOMXYBZWCA-RYUDHWBXSA-N 1 2 194.322 2.801 10 30 AFEELO CCC[C@@H]1CCC[N@@H+]([C@@H](C)C#N)CC1 70613479 343503130 /nfs/dbraw/zinc/50/31/30/343503130.db2.gz DSJVJOMXYBZWCA-NWDGAFQWSA-N 1 2 194.322 2.801 10 30 AFEELO CCC[C@@H]1CCC[N@H+]([C@@H](C)C#N)CC1 70613479 343503134 /nfs/dbraw/zinc/50/31/34/343503134.db2.gz DSJVJOMXYBZWCA-NWDGAFQWSA-N 1 2 194.322 2.801 10 30 AFEELO CC[C@@H](C#N)[NH2+]C1CCC(C)(C)CC1 70623413 343506087 /nfs/dbraw/zinc/50/60/87/343506087.db2.gz RTKJKABENWHFGX-JTQLQIEISA-N 1 2 194.322 2.847 10 30 AFEELO CC(C)[NH2+]C1(C#N)CCC(C)(C)CC1 70623224 343506171 /nfs/dbraw/zinc/50/61/71/343506171.db2.gz DAXRBKZKGRFWTK-UHFFFAOYSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@H](C#N)[NH2+]C1CCC(C)(C)CC1 70623414 343506353 /nfs/dbraw/zinc/50/63/53/343506353.db2.gz RTKJKABENWHFGX-SNVBAGLBSA-N 1 2 194.322 2.847 10 30 AFEELO CC(C)[NH2+][C@]1(C#N)CCCC(C)(C)C1 70629102 343508662 /nfs/dbraw/zinc/50/86/62/343508662.db2.gz HJOLIXNRPCIYAU-GFCCVEGCSA-N 1 2 194.322 2.847 10 30 AFEELO CC1(C)CCC[C@](C#N)([NH2+]C2CC2)C1 70629105 343508727 /nfs/dbraw/zinc/50/87/27/343508727.db2.gz NNEPMKGYUSDCRN-LBPRGKRZSA-N 1 2 192.306 2.601 10 30 AFEELO CC(C)[NH2+][C@@]1(C#N)CCCC(C)(C)C1 70629103 343508792 /nfs/dbraw/zinc/50/87/92/343508792.db2.gz HJOLIXNRPCIYAU-LBPRGKRZSA-N 1 2 194.322 2.847 10 30 AFEELO CCC[NH2+][C@@]1(C#N)CCCC(C)(C)C1 70629101 343508806 /nfs/dbraw/zinc/50/88/06/343508806.db2.gz LJZSZPHTMNTATF-LBPRGKRZSA-N 1 2 194.322 2.849 10 30 AFEELO CCC[NH2+][C@]1(C#N)CCCC(C)(C)C1 70629100 343508926 /nfs/dbraw/zinc/50/89/26/343508926.db2.gz LJZSZPHTMNTATF-GFCCVEGCSA-N 1 2 194.322 2.849 10 30 AFEELO C=C(CC)C[N@H+](CC#N)C1CCCC1 85059129 343639316 /nfs/dbraw/zinc/63/93/16/343639316.db2.gz DNMORNQGKZHGOF-UHFFFAOYSA-N 1 2 192.306 2.721 10 30 AFEELO C=C(CC)C[N@@H+](CC#N)C1CCCC1 85059129 343639320 /nfs/dbraw/zinc/63/93/20/343639320.db2.gz DNMORNQGKZHGOF-UHFFFAOYSA-N 1 2 192.306 2.721 10 30 AFEELO C/C(=[NH+]\C(C)(C)C)[C@H](C)Cl 137466028 343985856 /nfs/dbraw/zinc/98/58/56/343985856.db2.gz DXWKOZITUNKANS-AJNUETJASA-N 1 2 161.676 2.873 10 30 AFEELO COc1ccccc1/C=[NH+]/C(C)C 137578308 343986367 /nfs/dbraw/zinc/98/63/67/343986367.db2.gz AUBAWIFBYWJPQF-XYOKQWHBSA-N 1 2 177.247 2.523 10 30 AFEELO COc1ccccc1/C=[NH+]/C(C)(C)C 141750871 344007691 /nfs/dbraw/zinc/00/76/91/344007691.db2.gz NFSJHPSQXQVYCF-UKTHLTGXSA-N 1 2 191.274 2.913 10 30 AFEELO Cc1ccc2[nH]cc([S+](C)C)c2c1 144027698 344023905 /nfs/dbraw/zinc/02/39/05/344023905.db2.gz VDEWZUAPFQFYAW-UHFFFAOYSA-N 1 2 192.307 2.713 10 30 AFEELO C=CCCc1[nH+]c2ccccc2n1C 148278864 344052255 /nfs/dbraw/zinc/05/22/55/344052255.db2.gz WOKDJKJIXDXYFX-UHFFFAOYSA-N 1 2 186.258 2.692 10 30 AFEELO CC[C@@H](C#N)[NH2+][C@@H]1CCCC(C)(C)C1 149834920 344072126 /nfs/dbraw/zinc/07/21/26/344072126.db2.gz ZGMXKMOCPYJUOP-WDEREUQCSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@@H](C#N)[NH2+][C@H]1CCCC(C)(C)C1 149835348 344072048 /nfs/dbraw/zinc/07/20/48/344072048.db2.gz ZGMXKMOCPYJUOP-QWRGUYRKSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@H](C#N)[NH2+][C@H]1CCCC(C)(C)C1 149835545 344072274 /nfs/dbraw/zinc/07/22/74/344072274.db2.gz ZGMXKMOCPYJUOP-MNOVXSKESA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@H](C#N)[NH2+][C@@H]1CCCC(C)(C)C1 149835120 344072333 /nfs/dbraw/zinc/07/23/33/344072333.db2.gz ZGMXKMOCPYJUOP-GHMZBOCLSA-N 1 2 194.322 2.847 10 30 AFEELO C=C(C)C[NH2+]c1ccc(N)c(C)c1 160288196 344162127 /nfs/dbraw/zinc/16/21/27/344162127.db2.gz YAOJGKAUHGEWJI-UHFFFAOYSA-N 1 2 176.263 2.565 10 30 AFEELO C=C(C)C[NH2+]c1ccc(N)cc1C 160290069 344162325 /nfs/dbraw/zinc/16/23/25/344162325.db2.gz FRWWJQFFJHTTFF-UHFFFAOYSA-N 1 2 176.263 2.565 10 30 AFEELO C=C(C)CNc1ccc([NH3+])cc1C 160290069 344162327 /nfs/dbraw/zinc/16/23/27/344162327.db2.gz FRWWJQFFJHTTFF-UHFFFAOYSA-N 1 2 176.263 2.565 10 30 AFEELO C[NH2+]C1(C#N)CC(C)(C)CC(C)(C)C1 160443619 344166412 /nfs/dbraw/zinc/16/64/12/344166412.db2.gz FGBZGTGFDDYGRS-UHFFFAOYSA-N 1 2 194.322 2.704 10 30 AFEELO CC1(C)CC([NH2+]CC#N)CC(C)(C)C1 160456444 344167239 /nfs/dbraw/zinc/16/72/39/344167239.db2.gz GESVVHALXPFRFG-UHFFFAOYSA-N 1 2 194.322 2.704 10 30 AFEELO C#CCCC[NH2+]c1ccc(OC)cc1 160660934 344173162 /nfs/dbraw/zinc/17/31/62/344173162.db2.gz QFKFJYSETSFAQX-UHFFFAOYSA-N 1 2 189.258 2.521 10 30 AFEELO C=C(C)C[C@H](O)c1ccc(C)[nH+]c1C 160832498 344178841 /nfs/dbraw/zinc/17/88/41/344178841.db2.gz IUFMYYVXUSBNRM-LBPRGKRZSA-N 1 2 191.274 2.698 10 30 AFEELO C=C(C)C[C@@H](O)c1ccc(C)[nH+]c1C 160832392 344179059 /nfs/dbraw/zinc/17/90/59/344179059.db2.gz IUFMYYVXUSBNRM-GFCCVEGCSA-N 1 2 191.274 2.698 10 30 AFEELO N#Cc1cccc(Oc2cc[nH+]cc2)c1 201822963 344366127 /nfs/dbraw/zinc/36/61/27/344366127.db2.gz FRYZTLINQUHVQE-UHFFFAOYSA-N 1 2 196.209 2.746 10 30 AFEELO CCC(=[NH2+])Nc1c(F)ccc(C)c1F 215085537 344385726 /nfs/dbraw/zinc/38/57/26/344385726.db2.gz HWTPNWDIUXNRDJ-UHFFFAOYSA-N 1 2 198.216 2.672 10 30 AFEELO CC[C@H](C)[NH2+][C@]1(C#N)CCC[C@@H](C)C1 216558920 344397974 /nfs/dbraw/zinc/39/79/74/344397974.db2.gz QBXAHTMACAZSRU-GRYCIOLGSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@H](C)[NH2+][C@@]1(C#N)CCC[C@@H](C)C1 216559009 344398203 /nfs/dbraw/zinc/39/82/03/344398203.db2.gz QBXAHTMACAZSRU-WOPDTQHZSA-N 1 2 194.322 2.847 10 30 AFEELO CC[N@H+](CC#N)C1C[C@H](C)C[C@@H](C)C1 220208056 344430998 /nfs/dbraw/zinc/43/09/98/344430998.db2.gz MZGCMFNIOXORFZ-GHMZBOCLSA-N 1 2 194.322 2.657 10 30 AFEELO CC[N@@H+](CC#N)C1C[C@H](C)C[C@@H](C)C1 220208056 344430999 /nfs/dbraw/zinc/43/09/99/344430999.db2.gz MZGCMFNIOXORFZ-GHMZBOCLSA-N 1 2 194.322 2.657 10 30 AFEELO CC[C@H](C#N)[NH2+]C1C[C@H](C)C[C@@H](C)C1 220510333 344433270 /nfs/dbraw/zinc/43/32/70/344433270.db2.gz YBFSKBBAZKZBRE-GMTAPVOTSA-N 1 2 194.322 2.703 10 30 AFEELO CCC[NH2+][C@]1(C#N)CC[C@H](C)[C@@H](C)C1 220713720 344434824 /nfs/dbraw/zinc/43/48/24/344434824.db2.gz ODSREPFZQCBERX-SDDRHHMPSA-N 1 2 194.322 2.704 10 30 AFEELO CCC[NH2+][C@]1(C#N)CC[C@@H](C)[C@@H](C)C1 220713599 344435042 /nfs/dbraw/zinc/43/50/42/344435042.db2.gz ODSREPFZQCBERX-GRYCIOLGSA-N 1 2 194.322 2.704 10 30 AFEELO CC[N@H+](CC#N)[C@@H]1CC[C@@H](C)[C@@H](C)C1 221041705 344437674 /nfs/dbraw/zinc/43/76/74/344437674.db2.gz AGJVOPYOBHYTQL-GRYCIOLGSA-N 1 2 194.322 2.657 10 30 AFEELO CC[N@@H+](CC#N)[C@@H]1CC[C@@H](C)[C@@H](C)C1 221041705 344437675 /nfs/dbraw/zinc/43/76/75/344437675.db2.gz AGJVOPYOBHYTQL-GRYCIOLGSA-N 1 2 194.322 2.657 10 30 AFEELO CC(C)[NH2+][C@]1(C#N)CC[C@@H](C)C[C@@H]1C 222196396 344449592 /nfs/dbraw/zinc/44/95/92/344449592.db2.gz ZMUASIFGBQYATC-WOPDTQHZSA-N 1 2 194.322 2.703 10 30 AFEELO CC(C)[NH2+][C@]1(C#N)C[C@H](C)CC[C@@H]1C 222196617 344449912 /nfs/dbraw/zinc/44/99/12/344449912.db2.gz GCFMAHGLQCOIHF-WOPDTQHZSA-N 1 2 194.322 2.703 10 30 AFEELO CC(C)[NH2+][C@@]1(C#N)CC[C@@H](C)C[C@@H]1C 222196344 344449943 /nfs/dbraw/zinc/44/99/43/344449943.db2.gz ZMUASIFGBQYATC-GRYCIOLGSA-N 1 2 194.322 2.703 10 30 AFEELO C=C[C@@H](C)Nc1ccc([NH3+])cc1C 229314927 344590820 /nfs/dbraw/zinc/59/08/20/344590820.db2.gz LIUGFFQGVLREMJ-SECBINFHSA-N 1 2 176.263 2.564 10 30 AFEELO C=C[C@@H](C)[NH2+]c1ccc(N)cc1C 229314927 344590824 /nfs/dbraw/zinc/59/08/24/344590824.db2.gz LIUGFFQGVLREMJ-SECBINFHSA-N 1 2 176.263 2.564 10 30 AFEELO C=C[C@H](C)Nc1ccc([NH3+])cc1C 229314938 344590881 /nfs/dbraw/zinc/59/08/81/344590881.db2.gz LIUGFFQGVLREMJ-VIFPVBQESA-N 1 2 176.263 2.564 10 30 AFEELO C=C[C@H](C)[NH2+]c1ccc(N)cc1C 229314938 344590885 /nfs/dbraw/zinc/59/08/85/344590885.db2.gz LIUGFFQGVLREMJ-VIFPVBQESA-N 1 2 176.263 2.564 10 30 AFEELO C=C[C@@H](C)[NH2+]c1ccc(N)c(C)c1 229317231 344591242 /nfs/dbraw/zinc/59/12/42/344591242.db2.gz FEDJVRHVMNETKQ-SECBINFHSA-N 1 2 176.263 2.564 10 30 AFEELO C=C[C@H](C)[NH2+]c1ccc(N)c(C)c1 229317239 344591395 /nfs/dbraw/zinc/59/13/95/344591395.db2.gz FEDJVRHVMNETKQ-VIFPVBQESA-N 1 2 176.263 2.564 10 30 AFEELO CC(C)(C#N)CCCCn1cc[nH+]c1 232528299 344680781 /nfs/dbraw/zinc/68/07/81/344680781.db2.gz DPTHPKRBASSDCQ-UHFFFAOYSA-N 1 2 191.278 2.603 10 30 AFEELO CC(C)[NH2+][C@@]1(C#N)CC(C)(C)C[C@H]1C 232681767 344687958 /nfs/dbraw/zinc/68/79/58/344687958.db2.gz LNUBCCJUNNLXHQ-ZYHUDNBSSA-N 1 2 194.322 2.703 10 30 AFEELO CC(C)[NH2+][C@@]1(C#N)CC(C)(C)C[C@@H]1C 232681734 344688118 /nfs/dbraw/zinc/68/81/18/344688118.db2.gz LNUBCCJUNNLXHQ-CMPLNLGQSA-N 1 2 194.322 2.703 10 30 AFEELO CCC[C@@H](C)[N@@H+]1CCCC[C@@H]1C#N 233276340 344699723 /nfs/dbraw/zinc/69/97/23/344699723.db2.gz MXXKFWPVEJQKJL-GHMZBOCLSA-N 1 2 180.295 2.553 10 30 AFEELO CCC[C@@H](C)[N@H+]1CCCC[C@@H]1C#N 233276340 344699724 /nfs/dbraw/zinc/69/97/24/344699724.db2.gz MXXKFWPVEJQKJL-GHMZBOCLSA-N 1 2 180.295 2.553 10 30 AFEELO CCC[NH2+][C@]1(C#N)CC(C)(C)C[C@@H]1C 233193861 344699740 /nfs/dbraw/zinc/69/97/40/344699740.db2.gz RCGUOUIJXDUPMW-JQWIXIFHSA-N 1 2 194.322 2.704 10 30 AFEELO CCC[NH2+][C@@]1(C#N)CC(C)(C)C[C@@H]1C 233149641 344699749 /nfs/dbraw/zinc/69/97/49/344699749.db2.gz RCGUOUIJXDUPMW-CMPLNLGQSA-N 1 2 194.322 2.704 10 30 AFEELO CCC[NH2+][C@@]1(C#N)CC(C)(C)C[C@H]1C 233149642 344699833 /nfs/dbraw/zinc/69/98/33/344699833.db2.gz RCGUOUIJXDUPMW-ZYHUDNBSSA-N 1 2 194.322 2.704 10 30 AFEELO CCC[NH2+][C@]1(C#N)CC(C)(C)C[C@H]1C 233193863 344699874 /nfs/dbraw/zinc/69/98/74/344699874.db2.gz RCGUOUIJXDUPMW-PWSUYJOCSA-N 1 2 194.322 2.704 10 30 AFEELO CCC[C@H](C)[N@@H+]1CCCC[C@@H]1C#N 233334725 344700608 /nfs/dbraw/zinc/70/06/08/344700608.db2.gz MXXKFWPVEJQKJL-WDEREUQCSA-N 1 2 180.295 2.553 10 30 AFEELO CCC[C@H](C)[N@H+]1CCCC[C@@H]1C#N 233334725 344700612 /nfs/dbraw/zinc/70/06/12/344700612.db2.gz MXXKFWPVEJQKJL-WDEREUQCSA-N 1 2 180.295 2.553 10 30 AFEELO Cc1cc[nH+]c(C)c1N=[N+]=[N-] 238467856 344808069 /nfs/dbraw/zinc/80/80/69/344808069.db2.gz SPGURVWFJPCVOE-UHFFFAOYSA-N 1 2 148.169 2.640 10 30 AFEELO C=CCCCc1cccc(C)[nH+]1 238518198 344810494 /nfs/dbraw/zinc/81/04/94/344810494.db2.gz LJKWJNBSWLORIT-UHFFFAOYSA-N 1 2 161.248 2.899 10 30 AFEELO CC[N@H+](CC#N)[C@@H]1CC[C@@H](C)[C@H](C)C1 249849510 344827831 /nfs/dbraw/zinc/82/78/31/344827831.db2.gz AGJVOPYOBHYTQL-IJLUTSLNSA-N 1 2 194.322 2.657 10 30 AFEELO CC[N@@H+](CC#N)[C@@H]1CC[C@@H](C)[C@H](C)C1 249849510 344827832 /nfs/dbraw/zinc/82/78/32/344827832.db2.gz AGJVOPYOBHYTQL-IJLUTSLNSA-N 1 2 194.322 2.657 10 30 AFEELO CC[N@H+](CC#N)[C@@H]1CC[C@H](C)[C@@H](C)C1 249849514 344828126 /nfs/dbraw/zinc/82/81/26/344828126.db2.gz AGJVOPYOBHYTQL-SDDRHHMPSA-N 1 2 194.322 2.657 10 30 AFEELO CC[N@@H+](CC#N)[C@@H]1CC[C@H](C)[C@@H](C)C1 249849514 344828127 /nfs/dbraw/zinc/82/81/27/344828127.db2.gz AGJVOPYOBHYTQL-SDDRHHMPSA-N 1 2 194.322 2.657 10 30 AFEELO CC[N@H+](CC#N)[C@@H]1C[C@@H](C)C[C@@H](C)C1 249991222 344828548 /nfs/dbraw/zinc/82/85/48/344828548.db2.gz MZGCMFNIOXORFZ-GDNZZTSVSA-N 1 2 194.322 2.657 10 30 AFEELO CC[N@@H+](CC#N)[C@@H]1C[C@@H](C)C[C@@H](C)C1 249991222 344828550 /nfs/dbraw/zinc/82/85/50/344828550.db2.gz MZGCMFNIOXORFZ-GDNZZTSVSA-N 1 2 194.322 2.657 10 30 AFEELO CCC[NH2+][C@]1(C#N)CC[C@@H](C)C[C@H]1C 250888834 344842764 /nfs/dbraw/zinc/84/27/64/344842764.db2.gz WFGCVEBJNBGICR-UTUOFQBUSA-N 1 2 194.322 2.704 10 30 AFEELO CCC[C@@H]1CCC[N@@H+]([C@H](C)C#N)CC1 251277600 344850889 /nfs/dbraw/zinc/85/08/89/344850889.db2.gz DSJVJOMXYBZWCA-VXGBXAGGSA-N 1 2 194.322 2.801 10 30 AFEELO CCC[C@@H]1CCC[N@H+]([C@H](C)C#N)CC1 251277600 344850890 /nfs/dbraw/zinc/85/08/90/344850890.db2.gz DSJVJOMXYBZWCA-VXGBXAGGSA-N 1 2 194.322 2.801 10 30 AFEELO CC[C@H](C#N)[NH2+][C@H]1CCCCC[C@H]1C 251259150 344850894 /nfs/dbraw/zinc/85/08/94/344850894.db2.gz XSZMESUCCCDDGW-UTUOFQBUSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@H](C#N)[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)C1 251259383 344850896 /nfs/dbraw/zinc/85/08/96/344850896.db2.gz YBFSKBBAZKZBRE-KXNHARMFSA-N 1 2 194.322 2.703 10 30 AFEELO CC[C@@H](C#N)[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)C1 251259386 344850986 /nfs/dbraw/zinc/85/09/86/344850986.db2.gz YBFSKBBAZKZBRE-WHOHXGKFSA-N 1 2 194.322 2.703 10 30 AFEELO CC[C@H](C#N)[NH2+][C@@H]1CCCCC[C@H]1C 251259147 344851034 /nfs/dbraw/zinc/85/10/34/344851034.db2.gz XSZMESUCCCDDGW-IJLUTSLNSA-N 1 2 194.322 2.847 10 30 AFEELO CCC[C@H]1CCC[N@@H+]([C@H](C)C#N)CC1 251277598 344851075 /nfs/dbraw/zinc/85/10/75/344851075.db2.gz DSJVJOMXYBZWCA-NEPJUHHUSA-N 1 2 194.322 2.801 10 30 AFEELO CCC[C@H]1CCC[N@H+]([C@H](C)C#N)CC1 251277598 344851077 /nfs/dbraw/zinc/85/10/77/344851077.db2.gz DSJVJOMXYBZWCA-NEPJUHHUSA-N 1 2 194.322 2.801 10 30 AFEELO CCC[C@H]1CCCC[N@@H+]1[C@H](C)C#N 251282374 344851458 /nfs/dbraw/zinc/85/14/58/344851458.db2.gz FGLJTTKFTPWIMG-MNOVXSKESA-N 1 2 180.295 2.553 10 30 AFEELO CCC[C@H]1CCCC[N@H+]1[C@H](C)C#N 251282374 344851459 /nfs/dbraw/zinc/85/14/59/344851459.db2.gz FGLJTTKFTPWIMG-MNOVXSKESA-N 1 2 180.295 2.553 10 30 AFEELO CC[C@@H]1CCC[C@H]([N@H+](C)[C@H](C)C#N)C1 251649516 344863547 /nfs/dbraw/zinc/86/35/47/344863547.db2.gz GKQNKBZHSYHTPE-UTUOFQBUSA-N 1 2 194.322 2.799 10 30 AFEELO CC[C@@H]1CCC[C@H]([N@@H+](C)[C@H](C)C#N)C1 251649516 344863549 /nfs/dbraw/zinc/86/35/49/344863549.db2.gz GKQNKBZHSYHTPE-UTUOFQBUSA-N 1 2 194.322 2.799 10 30 AFEELO CC[C@@H]1CCC[C@@H]([N@H+](C)[C@H](C)C#N)C1 251649512 344863570 /nfs/dbraw/zinc/86/35/70/344863570.db2.gz GKQNKBZHSYHTPE-IJLUTSLNSA-N 1 2 194.322 2.799 10 30 AFEELO CC[C@@H]1CCC[C@@H]([N@@H+](C)[C@H](C)C#N)C1 251649512 344863571 /nfs/dbraw/zinc/86/35/71/344863571.db2.gz GKQNKBZHSYHTPE-IJLUTSLNSA-N 1 2 194.322 2.799 10 30 AFEELO CC(C)[NH2+][C@]1(C#N)CC[C@H](C)[C@H](C)C1 251715035 344867927 /nfs/dbraw/zinc/86/79/27/344867927.db2.gz IHEDZGIKYMNKKB-QJPTWQEYSA-N 1 2 194.322 2.703 10 30 AFEELO C[C@H]1CC([N@@H+](C)[C@H](C)C#N)C[C@H](C)C1 251794645 344873940 /nfs/dbraw/zinc/87/39/40/344873940.db2.gz GBBHUMAPBLUPLC-GMTAPVOTSA-N 1 2 194.322 2.655 10 30 AFEELO C[C@H]1CC([N@H+](C)[C@H](C)C#N)C[C@H](C)C1 251794645 344873941 /nfs/dbraw/zinc/87/39/41/344873941.db2.gz GBBHUMAPBLUPLC-GMTAPVOTSA-N 1 2 194.322 2.655 10 30 AFEELO CC(C)[NH2+][C@]1(C#N)C[C@H](C)CC[C@H]1C 251795752 344873964 /nfs/dbraw/zinc/87/39/64/344873964.db2.gz GCFMAHGLQCOIHF-UTUOFQBUSA-N 1 2 194.322 2.703 10 30 AFEELO C[C@H]1C[C@@H](C)C[C@H]([N@@H+](C)[C@@H](C)C#N)C1 251794650 344873975 /nfs/dbraw/zinc/87/39/75/344873975.db2.gz GBBHUMAPBLUPLC-WHOHXGKFSA-N 1 2 194.322 2.655 10 30 AFEELO C[C@H]1C[C@@H](C)C[C@H]([N@H+](C)[C@@H](C)C#N)C1 251794650 344873976 /nfs/dbraw/zinc/87/39/76/344873976.db2.gz GBBHUMAPBLUPLC-WHOHXGKFSA-N 1 2 194.322 2.655 10 30 AFEELO C[C@H]1C[C@@H](C)C[C@H]([N@@H+](C)[C@H](C)C#N)C1 251794648 344874004 /nfs/dbraw/zinc/87/40/04/344874004.db2.gz GBBHUMAPBLUPLC-KXNHARMFSA-N 1 2 194.322 2.655 10 30 AFEELO C[C@H]1C[C@@H](C)C[C@H]([N@H+](C)[C@H](C)C#N)C1 251794648 344874006 /nfs/dbraw/zinc/87/40/06/344874006.db2.gz GBBHUMAPBLUPLC-KXNHARMFSA-N 1 2 194.322 2.655 10 30 AFEELO CC[C@H](C)[NH2+][C@@]1(C#N)CCCC[C@H]1C 252386452 344894370 /nfs/dbraw/zinc/89/43/70/344894370.db2.gz QNHQXEWWLSBUSD-GRYCIOLGSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@H](C)[NH2+][C@]1(C#N)CCCC[C@H]1C 252386453 344894388 /nfs/dbraw/zinc/89/43/88/344894388.db2.gz QNHQXEWWLSBUSD-WOPDTQHZSA-N 1 2 194.322 2.847 10 30 AFEELO CC(C)[NH2+][C@]1(C#N)CC(C)(C)C[C@H]1C 300062119 344969736 /nfs/dbraw/zinc/96/97/36/344969736.db2.gz LNUBCCJUNNLXHQ-PWSUYJOCSA-N 1 2 194.322 2.703 10 30 AFEELO CC(C)[NH2+][C@]1(C#N)CC(C)(C)C[C@@H]1C 300062118 344969972 /nfs/dbraw/zinc/96/99/72/344969972.db2.gz LNUBCCJUNNLXHQ-JQWIXIFHSA-N 1 2 194.322 2.703 10 30 AFEELO CCC[C@H](C)[N@@H+]1CCCC[C@H]1C#N 300348009 344974917 /nfs/dbraw/zinc/97/49/17/344974917.db2.gz MXXKFWPVEJQKJL-QWRGUYRKSA-N 1 2 180.295 2.553 10 30 AFEELO CCC[C@H](C)[N@H+]1CCCC[C@H]1C#N 300348009 344974921 /nfs/dbraw/zinc/97/49/21/344974921.db2.gz MXXKFWPVEJQKJL-QWRGUYRKSA-N 1 2 180.295 2.553 10 30 AFEELO CCC[C@@H](C)[N@@H+]1CCCC[C@H]1C#N 300348008 344974965 /nfs/dbraw/zinc/97/49/65/344974965.db2.gz MXXKFWPVEJQKJL-MNOVXSKESA-N 1 2 180.295 2.553 10 30 AFEELO CCC[C@@H](C)[N@H+]1CCCC[C@H]1C#N 300348008 344974967 /nfs/dbraw/zinc/97/49/67/344974967.db2.gz MXXKFWPVEJQKJL-MNOVXSKESA-N 1 2 180.295 2.553 10 30 AFEELO N#C[C@H]1CCC[N@@H+]1CCC1CCCC1 300719022 344983431 /nfs/dbraw/zinc/98/34/31/344983431.db2.gz AQURQRNQUSCSBB-GFCCVEGCSA-N 1 2 192.306 2.555 10 30 AFEELO N#C[C@H]1CCC[N@H+]1CCC1CCCC1 300719022 344983432 /nfs/dbraw/zinc/98/34/32/344983432.db2.gz AQURQRNQUSCSBB-GFCCVEGCSA-N 1 2 192.306 2.555 10 30 AFEELO N#C[C@@H]1CCC[N@@H+]1CCC1CCCC1 300719023 344983444 /nfs/dbraw/zinc/98/34/44/344983444.db2.gz AQURQRNQUSCSBB-LBPRGKRZSA-N 1 2 192.306 2.555 10 30 AFEELO N#C[C@@H]1CCC[N@H+]1CCC1CCCC1 300719023 344983445 /nfs/dbraw/zinc/98/34/45/344983445.db2.gz AQURQRNQUSCSBB-LBPRGKRZSA-N 1 2 192.306 2.555 10 30 AFEELO C[C@@H]1CC[C@@]1(C#N)[NH2+]C1CCCCC1 306221778 345114152 /nfs/dbraw/zinc/11/41/52/345114152.db2.gz JQXACXIYIJLYOO-PWSUYJOCSA-N 1 2 192.306 2.601 10 30 AFEELO C[C@H]1CC[C@@]1(C#N)[NH2+]C1CCCCC1 306221770 345114282 /nfs/dbraw/zinc/11/42/82/345114282.db2.gz JQXACXIYIJLYOO-JQWIXIFHSA-N 1 2 192.306 2.601 10 30 AFEELO C[C@H]1CC[C@]1(C#N)[NH2+]C1CCCCC1 306221761 345114311 /nfs/dbraw/zinc/11/43/11/345114311.db2.gz JQXACXIYIJLYOO-CMPLNLGQSA-N 1 2 192.306 2.601 10 30 AFEELO CC[C@](C)(C#N)[NH+]1CC2(CCCC2)C1 306225002 345118214 /nfs/dbraw/zinc/11/82/14/345118214.db2.gz LKADKWKUFRARBV-LLVKDONJSA-N 1 2 192.306 2.555 10 30 AFEELO CC[C@@](C)(C#N)[NH+]1CC2(CCCC2)C1 306225004 345118274 /nfs/dbraw/zinc/11/82/74/345118274.db2.gz LKADKWKUFRARBV-NSHDSACASA-N 1 2 192.306 2.555 10 30 AFEELO CC(C)C1CCC([NH2+][C@H](C)C#N)CC1 306305600 345185307 /nfs/dbraw/zinc/18/53/07/345185307.db2.gz IVGQHTPTBLRFIF-VOMCLLRMSA-N 1 2 194.322 2.703 10 30 AFEELO CC(C)C1CCC([NH2+][C@@H](C)C#N)CC1 306305599 345185346 /nfs/dbraw/zinc/18/53/46/345185346.db2.gz IVGQHTPTBLRFIF-UNXYVOJBSA-N 1 2 194.322 2.703 10 30 AFEELO C[NH2+][C@H](C#N)C1CCC(C(C)C)CC1 306309922 345189222 /nfs/dbraw/zinc/18/92/22/345189222.db2.gz LTSBZJKNDWJALJ-HTAVTVPLSA-N 1 2 194.322 2.560 10 30 AFEELO C[NH2+][C@@H](C#N)C1CCC(C(C)C)CC1 306309923 345189640 /nfs/dbraw/zinc/18/96/40/345189640.db2.gz LTSBZJKNDWJALJ-MCIGGMRASA-N 1 2 194.322 2.560 10 30 AFEELO N#CC[NH2+][C@@H]1CCCC12CCCCC2 306338757 345214005 /nfs/dbraw/zinc/21/40/05/345214005.db2.gz JLNMKULXQSNZMI-LLVKDONJSA-N 1 2 192.306 2.603 10 30 AFEELO N#CC[NH2+][C@H]1CCCC12CCCCC2 306338758 345214337 /nfs/dbraw/zinc/21/43/37/345214337.db2.gz JLNMKULXQSNZMI-NSHDSACASA-N 1 2 192.306 2.603 10 30 AFEELO C[C@](C#N)([NH2+]C1CCCC1)C1CCC1 306340631 345215276 /nfs/dbraw/zinc/21/52/76/345215276.db2.gz LPDVVZFPMRZNDX-GFCCVEGCSA-N 1 2 192.306 2.601 10 30 AFEELO C=C[C@@H](C)[N@@H+]1CC[C@@H](C)C(F)(F)C1 306459741 345319123 /nfs/dbraw/zinc/31/91/23/345319123.db2.gz BKYAHFLGPBJSHI-RKDXNWHRSA-N 1 2 189.249 2.538 10 30 AFEELO C=C[C@@H](C)[N@H+]1CC[C@@H](C)C(F)(F)C1 306459741 345319125 /nfs/dbraw/zinc/31/91/25/345319125.db2.gz BKYAHFLGPBJSHI-RKDXNWHRSA-N 1 2 189.249 2.538 10 30 AFEELO C=C[C@H](C)[N@@H+]1CC[C@H](C)C(F)(F)C1 306459738 345319328 /nfs/dbraw/zinc/31/93/28/345319328.db2.gz BKYAHFLGPBJSHI-IUCAKERBSA-N 1 2 189.249 2.538 10 30 AFEELO C=C[C@H](C)[N@H+]1CC[C@H](C)C(F)(F)C1 306459738 345319332 /nfs/dbraw/zinc/31/93/32/345319332.db2.gz BKYAHFLGPBJSHI-IUCAKERBSA-N 1 2 189.249 2.538 10 30 AFEELO C=C[C@H](C)[N@@H+]1CC[C@@H](C)C(F)(F)C1 306459729 345319370 /nfs/dbraw/zinc/31/93/70/345319370.db2.gz BKYAHFLGPBJSHI-BDAKNGLRSA-N 1 2 189.249 2.538 10 30 AFEELO C=C[C@H](C)[N@H+]1CC[C@@H](C)C(F)(F)C1 306459729 345319373 /nfs/dbraw/zinc/31/93/73/345319373.db2.gz BKYAHFLGPBJSHI-BDAKNGLRSA-N 1 2 189.249 2.538 10 30 AFEELO C=C[C@@H](C)[N@@H+]1CC[C@H](C)C(F)(F)C1 306459735 345319390 /nfs/dbraw/zinc/31/93/90/345319390.db2.gz BKYAHFLGPBJSHI-DTWKUNHWSA-N 1 2 189.249 2.538 10 30 AFEELO C=C[C@@H](C)[N@H+]1CC[C@H](C)C(F)(F)C1 306459735 345319394 /nfs/dbraw/zinc/31/93/94/345319394.db2.gz BKYAHFLGPBJSHI-DTWKUNHWSA-N 1 2 189.249 2.538 10 30 AFEELO C=C(Cl)C[N@H+]1CCCC[C@H](F)C1 306487104 345357075 /nfs/dbraw/zinc/35/70/75/345357075.db2.gz SWSWITRPDIHZIN-VIFPVBQESA-N 1 2 191.677 2.563 10 30 AFEELO C=C(Cl)C[N@@H+]1CCCC[C@H](F)C1 306487104 345357076 /nfs/dbraw/zinc/35/70/76/345357076.db2.gz SWSWITRPDIHZIN-VIFPVBQESA-N 1 2 191.677 2.563 10 30 AFEELO C=C(Cl)C[N@H+]1CCCC[C@@H](F)C1 306487103 345357243 /nfs/dbraw/zinc/35/72/43/345357243.db2.gz SWSWITRPDIHZIN-SECBINFHSA-N 1 2 191.677 2.563 10 30 AFEELO C=C(Cl)C[N@@H+]1CCCC[C@@H](F)C1 306487103 345357246 /nfs/dbraw/zinc/35/72/46/345357246.db2.gz SWSWITRPDIHZIN-SECBINFHSA-N 1 2 191.677 2.563 10 30 AFEELO CC1([C@H](C#N)[NH2+]C2CC2)CCCCC1 306523970 345396084 /nfs/dbraw/zinc/39/60/84/345396084.db2.gz WKVVKKCZYUJEET-NSHDSACASA-N 1 2 192.306 2.601 10 30 AFEELO CC1([C@@H](C#N)[NH2+]C2CC2)CCCCC1 306523969 345396253 /nfs/dbraw/zinc/39/62/53/345396253.db2.gz WKVVKKCZYUJEET-LLVKDONJSA-N 1 2 192.306 2.601 10 30 AFEELO C=C(C)C[C@H](O)c1c[nH+]c(C)cc1C 306588548 345465583 /nfs/dbraw/zinc/46/55/83/345465583.db2.gz VWRPCBZZPHKUNJ-LBPRGKRZSA-N 1 2 191.274 2.698 10 30 AFEELO C=C(C)C[C@@H](O)c1c[nH+]c(C)cc1C 306588547 345465637 /nfs/dbraw/zinc/46/56/37/345465637.db2.gz VWRPCBZZPHKUNJ-GFCCVEGCSA-N 1 2 191.274 2.698 10 30 AFEELO CC(C)(C)CC[C@]1(C#N)CCCC[NH2+]1 306595942 345472179 /nfs/dbraw/zinc/47/21/79/345472179.db2.gz MAVKQSNEAMUYCF-LBPRGKRZSA-N 1 2 194.322 2.849 10 30 AFEELO CC(C)(C)CC[C@@]1(C#N)CCCC[NH2+]1 306595941 345472390 /nfs/dbraw/zinc/47/23/90/345472390.db2.gz MAVKQSNEAMUYCF-GFCCVEGCSA-N 1 2 194.322 2.849 10 30 AFEELO C=CC[C@@H](C)Nc1ccc(C)[nH+]c1 306819659 345635016 /nfs/dbraw/zinc/63/50/16/345635016.db2.gz HGKFPGLMHYLUBJ-SNVBAGLBSA-N 1 2 176.263 2.767 10 30 AFEELO C=CC[C@H](C)Nc1ccc(C)[nH+]c1 306819639 345635023 /nfs/dbraw/zinc/63/50/23/345635023.db2.gz HGKFPGLMHYLUBJ-JTQLQIEISA-N 1 2 176.263 2.767 10 30 AFEELO CC1(C)CC[C@]1(C#N)[NH2+]C1CCCC1 306820433 345635446 /nfs/dbraw/zinc/63/54/46/345635446.db2.gz DOSNIFSJUHCULI-GFCCVEGCSA-N 1 2 192.306 2.601 10 30 AFEELO CC1(C)CC[C@@]1(C#N)[NH2+]C1CCCC1 306820435 345635458 /nfs/dbraw/zinc/63/54/58/345635458.db2.gz DOSNIFSJUHCULI-LBPRGKRZSA-N 1 2 192.306 2.601 10 30 AFEELO C[NH+](C)[C@@H](C#N)CC1CCCCCC1 307004836 345746479 /nfs/dbraw/zinc/74/64/79/345746479.db2.gz DNISTJZMWYZPDI-GFCCVEGCSA-N 1 2 194.322 2.801 10 30 AFEELO C[NH+](C)[C@H](C#N)CC1CCCCCC1 307004839 345746576 /nfs/dbraw/zinc/74/65/76/345746576.db2.gz DNISTJZMWYZPDI-LBPRGKRZSA-N 1 2 194.322 2.801 10 30 AFEELO CC1CCC(C[N@@H+](C)[C@H](C)C#N)CC1 307108658 345814289 /nfs/dbraw/zinc/81/42/89/345814289.db2.gz MKFLMHMORQNMFP-MOENNCHZSA-N 1 2 194.322 2.657 10 30 AFEELO CC1CCC(C[N@H+](C)[C@H](C)C#N)CC1 307108658 345814291 /nfs/dbraw/zinc/81/42/91/345814291.db2.gz MKFLMHMORQNMFP-MOENNCHZSA-N 1 2 194.322 2.657 10 30 AFEELO CC1CCC(C[N@@H+](C)[C@@H](C)C#N)CC1 307108656 345814450 /nfs/dbraw/zinc/81/44/50/345814450.db2.gz MKFLMHMORQNMFP-CXQJBGSLSA-N 1 2 194.322 2.657 10 30 AFEELO CC1CCC(C[N@H+](C)[C@@H](C)C#N)CC1 307108656 345814453 /nfs/dbraw/zinc/81/44/53/345814453.db2.gz MKFLMHMORQNMFP-CXQJBGSLSA-N 1 2 194.322 2.657 10 30 AFEELO CC(C)[NH2+][C@H](C#N)[C@@H]1CCCC[C@@H]1C 307141295 345834501 /nfs/dbraw/zinc/83/45/01/345834501.db2.gz DHGPJTDQXXRNAP-QJPTWQEYSA-N 1 2 194.322 2.703 10 30 AFEELO CC(C)[NH2+][C@H](C#N)[C@@H]1CCCC[C@H]1C 307141294 345834523 /nfs/dbraw/zinc/83/45/23/345834523.db2.gz DHGPJTDQXXRNAP-IJLUTSLNSA-N 1 2 194.322 2.703 10 30 AFEELO CC(C)[NH2+][C@H](C#N)[C@H]1CCCC[C@H]1C 307141292 345834591 /nfs/dbraw/zinc/83/45/91/345834591.db2.gz DHGPJTDQXXRNAP-GRYCIOLGSA-N 1 2 194.322 2.703 10 30 AFEELO CC(C)[NH2+][C@H](C#N)[C@H]1CCCC[C@@H]1C 307141297 345834735 /nfs/dbraw/zinc/83/47/35/345834735.db2.gz DHGPJTDQXXRNAP-SDDRHHMPSA-N 1 2 194.322 2.703 10 30 AFEELO CC[C@](C)(C#N)c1cc(C)[nH+]c(C)c1 307752640 346222204 /nfs/dbraw/zinc/22/22/04/346222204.db2.gz SFLVGKAKIDEEOC-GFCCVEGCSA-N 1 2 188.274 2.890 10 30 AFEELO CC[C@@](C)(C#N)c1cc(C)[nH+]c(C)c1 307752641 346222442 /nfs/dbraw/zinc/22/24/42/346222442.db2.gz SFLVGKAKIDEEOC-LBPRGKRZSA-N 1 2 188.274 2.890 10 30 AFEELO C/C(=C/Cl)C[C@]1(C#N)CCCC[NH2+]1 308203782 346269841 /nfs/dbraw/zinc/26/98/41/346269841.db2.gz GKVCJUJWAHNVMG-RNKPRXRFSA-N 1 2 198.697 2.555 10 30 AFEELO C=CCSCc1[nH+]ccn1C(C)C 308220502 346271710 /nfs/dbraw/zinc/27/17/10/346271710.db2.gz BYESXQYDBHKYPX-UHFFFAOYSA-N 1 2 196.319 2.883 10 30 AFEELO C=CCCCSCCn1cc[nH+]c1 308251621 346276888 /nfs/dbraw/zinc/27/68/88/346276888.db2.gz FWLAHWQVKQKXSX-UHFFFAOYSA-N 1 2 196.319 2.583 10 30 AFEELO CC[N@H+](CC#N)CC1CCC(C)CC1 308464685 346305080 /nfs/dbraw/zinc/30/50/80/346305080.db2.gz FRCWLYMLYOZOLD-UHFFFAOYSA-N 1 2 194.322 2.658 10 30 AFEELO CC[N@@H+](CC#N)CC1CCC(C)CC1 308464685 346305082 /nfs/dbraw/zinc/30/50/82/346305082.db2.gz FRCWLYMLYOZOLD-UHFFFAOYSA-N 1 2 194.322 2.658 10 30 AFEELO CCC[C@@H]([NH2+]CC#N)C1CCCCC1 308717636 346318309 /nfs/dbraw/zinc/31/83/09/346318309.db2.gz BYRUUZFUSQKSSS-GFCCVEGCSA-N 1 2 194.322 2.849 10 30 AFEELO CCC[C@H]([NH2+]CC#N)C1CCCCC1 308717642 346318491 /nfs/dbraw/zinc/31/84/91/346318491.db2.gz BYRUUZFUSQKSSS-LBPRGKRZSA-N 1 2 194.322 2.849 10 30 AFEELO C=C(C)CSCc1[nH+]ccn1CC 379388149 346512633 /nfs/dbraw/zinc/51/26/33/346512633.db2.gz IYUZQTXYLFIIIZ-UHFFFAOYSA-N 1 2 196.319 2.712 10 30 AFEELO C=CCCSCc1[nH+]ccn1CC 379390191 346513535 /nfs/dbraw/zinc/51/35/35/346513535.db2.gz NENPUMXJYURQIN-UHFFFAOYSA-N 1 2 196.319 2.712 10 30 AFEELO CC[N@H+](CC#N)C[C@@H](C)C(C)(C)C 388264290 346549008 /nfs/dbraw/zinc/54/90/08/346549008.db2.gz CEBJRXVHTHFBNV-SNVBAGLBSA-N 1 2 182.311 2.514 10 30 AFEELO CC[N@@H+](CC#N)C[C@@H](C)C(C)(C)C 388264290 346549009 /nfs/dbraw/zinc/54/90/09/346549009.db2.gz CEBJRXVHTHFBNV-SNVBAGLBSA-N 1 2 182.311 2.514 10 30 AFEELO CC[N@H+](CC#N)C[C@H](C)C(C)(C)C 388264289 346549103 /nfs/dbraw/zinc/54/91/03/346549103.db2.gz CEBJRXVHTHFBNV-JTQLQIEISA-N 1 2 182.311 2.514 10 30 AFEELO CC[N@@H+](CC#N)C[C@H](C)C(C)(C)C 388264289 346549105 /nfs/dbraw/zinc/54/91/05/346549105.db2.gz CEBJRXVHTHFBNV-JTQLQIEISA-N 1 2 182.311 2.514 10 30 AFEELO C=C(C)CCSCCn1cc[nH+]c1 388931081 346570100 /nfs/dbraw/zinc/57/01/00/346570100.db2.gz UMEGBABTNZXTNH-UHFFFAOYSA-N 1 2 196.319 2.583 10 30 AFEELO CC[N@@H+](CC#N)CCC(C)(C)C1CC1 406043306 346677681 /nfs/dbraw/zinc/67/76/81/346677681.db2.gz SKRANYJSQLXFSD-UHFFFAOYSA-N 1 2 194.322 2.658 10 30 AFEELO CC[N@H+](CC#N)CCC(C)(C)C1CC1 406043306 346677682 /nfs/dbraw/zinc/67/76/82/346677682.db2.gz SKRANYJSQLXFSD-UHFFFAOYSA-N 1 2 194.322 2.658 10 30 AFEELO CCC/C=[NH+]/N(C)c1ccccc1 584609949 346726532 /nfs/dbraw/zinc/72/65/32/346726532.db2.gz YDUPIQWQAZWYBC-ZRDIBKRKSA-N 1 2 176.263 2.909 10 30 AFEELO C=C/[NH+]=C/OC1CCCCC1 584657404 346743864 /nfs/dbraw/zinc/74/38/64/346743864.db2.gz UWMMAXVCGVSQJP-CSKARUKUSA-N 1 2 153.225 2.508 10 30 AFEELO C[N@@H+](CC#N)CCC1CCCCCC1 589158340 346769373 /nfs/dbraw/zinc/76/93/73/346769373.db2.gz HONSHILEIVICMG-UHFFFAOYSA-N 1 2 194.322 2.802 10 30 AFEELO C[N@H+](CC#N)CCC1CCCCCC1 589158340 346769375 /nfs/dbraw/zinc/76/93/75/346769375.db2.gz HONSHILEIVICMG-UHFFFAOYSA-N 1 2 194.322 2.802 10 30 AFEELO C=CCSCCc1cccc(C)[nH+]1 592452142 346831333 /nfs/dbraw/zinc/83/13/33/346831333.db2.gz DDIACBPMLGYVOV-UHFFFAOYSA-N 1 2 193.315 2.852 10 30 AFEELO C=CCCC[C@@H](C)[NH+]1CC(C)(C#N)C1 593980410 346843002 /nfs/dbraw/zinc/84/30/02/346843002.db2.gz BVBJUEVRJBRZQV-LLVKDONJSA-N 1 2 192.306 2.577 10 30 AFEELO C=CCCC[C@H](C)[NH+]1CC(C)(C#N)C1 593980411 346843060 /nfs/dbraw/zinc/84/30/60/346843060.db2.gz BVBJUEVRJBRZQV-NSHDSACASA-N 1 2 192.306 2.577 10 30 AFEELO C[N@H+](CC#N)C[C@H]1CCCCC1(C)C 595303750 346857985 /nfs/dbraw/zinc/85/79/85/346857985.db2.gz BCHYEHRNVAQSPR-LLVKDONJSA-N 1 2 194.322 2.658 10 30 AFEELO C[N@H+](CC#N)C[C@@H]1CCCCC1(C)C 595303751 346858061 /nfs/dbraw/zinc/85/80/61/346858061.db2.gz BCHYEHRNVAQSPR-NSHDSACASA-N 1 2 194.322 2.658 10 30 AFEELO N#CC[N@@H+]1CCCC2(CCCC2)CC1 595641403 346860932 /nfs/dbraw/zinc/86/09/32/346860932.db2.gz KZDQZAOYFAXIMX-UHFFFAOYSA-N 1 2 192.306 2.556 10 30 AFEELO N#CC[N@H+]1CCCC2(CCCC2)CC1 595641403 346860935 /nfs/dbraw/zinc/86/09/35/346860935.db2.gz KZDQZAOYFAXIMX-UHFFFAOYSA-N 1 2 192.306 2.556 10 30 AFEELO C[C@@H](C#N)[N@H+](CC1CCCC1)C1CC1 595709487 346862703 /nfs/dbraw/zinc/86/27/03/346862703.db2.gz FZZDGALKMWCVON-JTQLQIEISA-N 1 2 192.306 2.553 10 30 AFEELO C[C@@H](C#N)[N@@H+](CC1CCCC1)C1CC1 595709487 346862705 /nfs/dbraw/zinc/86/27/05/346862705.db2.gz FZZDGALKMWCVON-JTQLQIEISA-N 1 2 192.306 2.553 10 30 AFEELO C[C@H](C#N)[N@H+](CC1CCCC1)C1CC1 595709490 346862729 /nfs/dbraw/zinc/86/27/29/346862729.db2.gz FZZDGALKMWCVON-SNVBAGLBSA-N 1 2 192.306 2.553 10 30 AFEELO C[C@H](C#N)[N@@H+](CC1CCCC1)C1CC1 595709490 346862730 /nfs/dbraw/zinc/86/27/30/346862730.db2.gz FZZDGALKMWCVON-SNVBAGLBSA-N 1 2 192.306 2.553 10 30 AFEELO CC(C)CCC[N@@H+](C1CC1)[C@H](C)C#N 595709137 346862742 /nfs/dbraw/zinc/86/27/42/346862742.db2.gz DVQHOCDXJFLMFG-LLVKDONJSA-N 1 2 194.322 2.799 10 30 AFEELO CC(C)CCC[N@H+](C1CC1)[C@H](C)C#N 595709137 346862746 /nfs/dbraw/zinc/86/27/46/346862746.db2.gz DVQHOCDXJFLMFG-LLVKDONJSA-N 1 2 194.322 2.799 10 30 AFEELO CC(C)CCC[N@@H+](C1CC1)[C@@H](C)C#N 595709376 346862761 /nfs/dbraw/zinc/86/27/61/346862761.db2.gz DVQHOCDXJFLMFG-NSHDSACASA-N 1 2 194.322 2.799 10 30 AFEELO CC(C)CCC[N@H+](C1CC1)[C@@H](C)C#N 595709376 346862763 /nfs/dbraw/zinc/86/27/63/346862763.db2.gz DVQHOCDXJFLMFG-NSHDSACASA-N 1 2 194.322 2.799 10 30 AFEELO CC[N@H+](CC1CCCCC1)[C@@H](C)C#N 595811543 346864372 /nfs/dbraw/zinc/86/43/72/346864372.db2.gz DLZLTLUYWOIDCO-NSHDSACASA-N 1 2 194.322 2.801 10 30 AFEELO CC[N@@H+](CC1CCCCC1)[C@@H](C)C#N 595811543 346864377 /nfs/dbraw/zinc/86/43/77/346864377.db2.gz DLZLTLUYWOIDCO-NSHDSACASA-N 1 2 194.322 2.801 10 30 AFEELO CC[N@H+](CCC(C)(C)C)[C@H](C)C#N 595811767 346864383 /nfs/dbraw/zinc/86/43/83/346864383.db2.gz AJWLGHUZEJRHHF-SNVBAGLBSA-N 1 2 182.311 2.657 10 30 AFEELO CC[N@@H+](CCC(C)(C)C)[C@H](C)C#N 595811767 346864387 /nfs/dbraw/zinc/86/43/87/346864387.db2.gz AJWLGHUZEJRHHF-SNVBAGLBSA-N 1 2 182.311 2.657 10 30 AFEELO CC[N@H+](CCC(C)(C)C)[C@@H](C)C#N 595811766 346864533 /nfs/dbraw/zinc/86/45/33/346864533.db2.gz AJWLGHUZEJRHHF-JTQLQIEISA-N 1 2 182.311 2.657 10 30 AFEELO CC[N@@H+](CCC(C)(C)C)[C@@H](C)C#N 595811766 346864536 /nfs/dbraw/zinc/86/45/36/346864536.db2.gz AJWLGHUZEJRHHF-JTQLQIEISA-N 1 2 182.311 2.657 10 30 AFEELO CC[N@H+](CC1CCCCC1)[C@H](C)C#N 595811542 346864595 /nfs/dbraw/zinc/86/45/95/346864595.db2.gz DLZLTLUYWOIDCO-LLVKDONJSA-N 1 2 194.322 2.801 10 30 AFEELO CC[N@@H+](CC1CCCCC1)[C@H](C)C#N 595811542 346864599 /nfs/dbraw/zinc/86/45/99/346864599.db2.gz DLZLTLUYWOIDCO-LLVKDONJSA-N 1 2 194.322 2.801 10 30 AFEELO CC[N@H+](CCC=C(C)C)[C@H](C)C#N 595817130 346865383 /nfs/dbraw/zinc/86/53/83/346865383.db2.gz GVOMZZNXBVWDAE-LLVKDONJSA-N 1 2 180.295 2.577 10 30 AFEELO CC[N@@H+](CCC=C(C)C)[C@H](C)C#N 595817130 346865386 /nfs/dbraw/zinc/86/53/86/346865386.db2.gz GVOMZZNXBVWDAE-LLVKDONJSA-N 1 2 180.295 2.577 10 30 AFEELO CC[N@H+](CCCC1CCC1)[C@H](C)C#N 595817205 346865469 /nfs/dbraw/zinc/86/54/69/346865469.db2.gz IBISNGWZNYGJPT-LLVKDONJSA-N 1 2 194.322 2.801 10 30 AFEELO CC[N@@H+](CCCC1CCC1)[C@H](C)C#N 595817205 346865470 /nfs/dbraw/zinc/86/54/70/346865470.db2.gz IBISNGWZNYGJPT-LLVKDONJSA-N 1 2 194.322 2.801 10 30 AFEELO CC[N@H+](CCC=C(C)C)[C@@H](C)C#N 595817131 346865497 /nfs/dbraw/zinc/86/54/97/346865497.db2.gz GVOMZZNXBVWDAE-NSHDSACASA-N 1 2 180.295 2.577 10 30 AFEELO CC[N@@H+](CCC=C(C)C)[C@@H](C)C#N 595817131 346865498 /nfs/dbraw/zinc/86/54/98/346865498.db2.gz GVOMZZNXBVWDAE-NSHDSACASA-N 1 2 180.295 2.577 10 30 AFEELO CC[N@H+](CCCC1CCC1)[C@@H](C)C#N 595817207 346865537 /nfs/dbraw/zinc/86/55/37/346865537.db2.gz IBISNGWZNYGJPT-NSHDSACASA-N 1 2 194.322 2.801 10 30 AFEELO CC[N@@H+](CCCC1CCC1)[C@@H](C)C#N 595817207 346865541 /nfs/dbraw/zinc/86/55/41/346865541.db2.gz IBISNGWZNYGJPT-NSHDSACASA-N 1 2 194.322 2.801 10 30 AFEELO CCC(CC)CCC[N@H+](C)CC#N 595829058 346866304 /nfs/dbraw/zinc/86/63/04/346866304.db2.gz GYMQZCKBVNZLDU-UHFFFAOYSA-N 1 2 182.311 2.658 10 30 AFEELO CCC(CC)CCC[N@@H+](C)CC#N 595829058 346866307 /nfs/dbraw/zinc/86/63/07/346866307.db2.gz GYMQZCKBVNZLDU-UHFFFAOYSA-N 1 2 182.311 2.658 10 30 AFEELO N#CC[N@@H+]1CCCC[C@H]1CC1CCC1 595868054 346869774 /nfs/dbraw/zinc/86/97/74/346869774.db2.gz RDRUGHQLYLEBCF-LBPRGKRZSA-N 1 2 192.306 2.555 10 30 AFEELO N#CC[N@H+]1CCCC[C@H]1CC1CCC1 595868054 346869775 /nfs/dbraw/zinc/86/97/75/346869775.db2.gz RDRUGHQLYLEBCF-LBPRGKRZSA-N 1 2 192.306 2.555 10 30 AFEELO CCCCC[C@H]1CCCC[N@@H+]1CC#N 595870645 346869896 /nfs/dbraw/zinc/86/98/96/346869896.db2.gz IGSMDFMKGFVDMO-LBPRGKRZSA-N 1 2 194.322 2.945 10 30 AFEELO CCCCC[C@H]1CCCC[N@H+]1CC#N 595870645 346869897 /nfs/dbraw/zinc/86/98/97/346869897.db2.gz IGSMDFMKGFVDMO-LBPRGKRZSA-N 1 2 194.322 2.945 10 30 AFEELO N#CC[N@H+]1CCCC[C@@H]1CC1CCC1 595868053 346869995 /nfs/dbraw/zinc/86/99/95/346869995.db2.gz RDRUGHQLYLEBCF-GFCCVEGCSA-N 1 2 192.306 2.555 10 30 AFEELO CCCCC[C@@H]1CCCC[N@@H+]1CC#N 595870644 346870217 /nfs/dbraw/zinc/87/02/17/346870217.db2.gz IGSMDFMKGFVDMO-GFCCVEGCSA-N 1 2 194.322 2.945 10 30 AFEELO CCCCC[C@@H]1CCCC[N@H+]1CC#N 595870644 346870221 /nfs/dbraw/zinc/87/02/21/346870221.db2.gz IGSMDFMKGFVDMO-GFCCVEGCSA-N 1 2 194.322 2.945 10 30 AFEELO CCC[C@H](C)CCC[N@H+](C)CC#N 599281421 346902661 /nfs/dbraw/zinc/90/26/61/346902661.db2.gz SXPXSKYIEYLGSG-NSHDSACASA-N 1 2 182.311 2.658 10 30 AFEELO CCC[C@H](C)CCC[N@@H+](C)CC#N 599281421 346902663 /nfs/dbraw/zinc/90/26/63/346902663.db2.gz SXPXSKYIEYLGSG-NSHDSACASA-N 1 2 182.311 2.658 10 30 AFEELO CCC[C@@H](C)CCC[N@H+](C)CC#N 599281420 346902754 /nfs/dbraw/zinc/90/27/54/346902754.db2.gz SXPXSKYIEYLGSG-LLVKDONJSA-N 1 2 182.311 2.658 10 30 AFEELO CCC[C@@H](C)CCC[N@@H+](C)CC#N 599281420 346902756 /nfs/dbraw/zinc/90/27/56/346902756.db2.gz SXPXSKYIEYLGSG-LLVKDONJSA-N 1 2 182.311 2.658 10 30 AFEELO CC[N@H+](CC1CC(C)(C)C1)[C@@H](C)C#N 599474699 346903458 /nfs/dbraw/zinc/90/34/58/346903458.db2.gz BLXRYQWXRDPVBK-JTQLQIEISA-N 1 2 194.322 2.657 10 30 AFEELO CC[N@@H+](CC1CC(C)(C)C1)[C@@H](C)C#N 599474699 346903459 /nfs/dbraw/zinc/90/34/59/346903459.db2.gz BLXRYQWXRDPVBK-JTQLQIEISA-N 1 2 194.322 2.657 10 30 AFEELO CC[N@H+](CC1CC(C)(C)C1)[C@H](C)C#N 599474700 346903992 /nfs/dbraw/zinc/90/39/92/346903992.db2.gz BLXRYQWXRDPVBK-SNVBAGLBSA-N 1 2 194.322 2.657 10 30 AFEELO CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)C#N 599474700 346903995 /nfs/dbraw/zinc/90/39/95/346903995.db2.gz BLXRYQWXRDPVBK-SNVBAGLBSA-N 1 2 194.322 2.657 10 30 AFEELO C=CC[N@H+](CC#N)CC1CCCCC1 609564265 347019181 /nfs/dbraw/zinc/01/91/81/347019181.db2.gz CSMPZYLAFMECJI-UHFFFAOYSA-N 1 2 192.306 2.578 10 30 AFEELO C=CC[N@@H+](CC#N)CC1CCCCC1 609564265 347019184 /nfs/dbraw/zinc/01/91/84/347019184.db2.gz CSMPZYLAFMECJI-UHFFFAOYSA-N 1 2 192.306 2.578 10 30 AFEELO CC(C)(C)C[NH+](CC#N)CC(C)(C)C 611407125 347037827 /nfs/dbraw/zinc/03/78/27/347037827.db2.gz BJGZBLQSDUVZRX-UHFFFAOYSA-N 1 2 196.338 2.904 10 30 AFEELO CC[N@H+](CC#N)C[C@H]1CCCC[C@H]1C 612399045 347048148 /nfs/dbraw/zinc/04/81/48/347048148.db2.gz BNKFQJPOKZTCSR-VXGBXAGGSA-N 1 2 194.322 2.658 10 30 AFEELO CC[N@@H+](CC#N)C[C@H]1CCCC[C@H]1C 612399045 347048149 /nfs/dbraw/zinc/04/81/49/347048149.db2.gz BNKFQJPOKZTCSR-VXGBXAGGSA-N 1 2 194.322 2.658 10 30 AFEELO CC[N@H+](CC#N)C[C@H]1CCCC[C@@H]1C 612399043 347048169 /nfs/dbraw/zinc/04/81/69/347048169.db2.gz BNKFQJPOKZTCSR-NWDGAFQWSA-N 1 2 194.322 2.658 10 30 AFEELO CC[N@@H+](CC#N)C[C@H]1CCCC[C@@H]1C 612399043 347048171 /nfs/dbraw/zinc/04/81/71/347048171.db2.gz BNKFQJPOKZTCSR-NWDGAFQWSA-N 1 2 194.322 2.658 10 30 AFEELO CC[N@H+](CC#N)C[C@@H]1CCCC[C@H]1C 612399042 347048228 /nfs/dbraw/zinc/04/82/28/347048228.db2.gz BNKFQJPOKZTCSR-NEPJUHHUSA-N 1 2 194.322 2.658 10 30 AFEELO CC[N@@H+](CC#N)C[C@@H]1CCCC[C@H]1C 612399042 347048230 /nfs/dbraw/zinc/04/82/30/347048230.db2.gz BNKFQJPOKZTCSR-NEPJUHHUSA-N 1 2 194.322 2.658 10 30 AFEELO CC[N@H+](CC#N)C[C@@H]1CCCC[C@@H]1C 612399044 347048275 /nfs/dbraw/zinc/04/82/75/347048275.db2.gz BNKFQJPOKZTCSR-RYUDHWBXSA-N 1 2 194.322 2.658 10 30 AFEELO CC[N@@H+](CC#N)C[C@@H]1CCCC[C@@H]1C 612399044 347048276 /nfs/dbraw/zinc/04/82/76/347048276.db2.gz BNKFQJPOKZTCSR-RYUDHWBXSA-N 1 2 194.322 2.658 10 30 AFEELO CC(C)C[N@@H+]1CCCC(C)(C)[C@H]1C#N 618316834 347188751 /nfs/dbraw/zinc/18/87/51/347188751.db2.gz GRXBHVDSORUMHR-LLVKDONJSA-N 1 2 194.322 2.657 10 30 AFEELO CC(C)C[N@H+]1CCCC(C)(C)[C@H]1C#N 618316834 347188753 /nfs/dbraw/zinc/18/87/53/347188753.db2.gz GRXBHVDSORUMHR-LLVKDONJSA-N 1 2 194.322 2.657 10 30 AFEELO CC(C)C[N@@H+]1CCCC(C)(C)[C@@H]1C#N 618316835 347188759 /nfs/dbraw/zinc/18/87/59/347188759.db2.gz GRXBHVDSORUMHR-NSHDSACASA-N 1 2 194.322 2.657 10 30 AFEELO CC(C)C[N@H+]1CCCC(C)(C)[C@@H]1C#N 618316835 347188762 /nfs/dbraw/zinc/18/87/62/347188762.db2.gz GRXBHVDSORUMHR-NSHDSACASA-N 1 2 194.322 2.657 10 30 AFEELO C=CCCCCC[N@H+](CC#N)C1CC1 618745866 347192101 /nfs/dbraw/zinc/19/21/01/347192101.db2.gz HDZMZKXSWCTOMX-UHFFFAOYSA-N 1 2 192.306 2.721 10 30 AFEELO C=CCCCCC[N@@H+](CC#N)C1CC1 618745866 347192106 /nfs/dbraw/zinc/19/21/06/347192106.db2.gz HDZMZKXSWCTOMX-UHFFFAOYSA-N 1 2 192.306 2.721 10 30 AFEELO C=C(C)C[N@@H+](CC)CC(F)(F)CC 639444803 347517927 /nfs/dbraw/zinc/51/79/27/347517927.db2.gz OVFUPGUEJBJINW-UHFFFAOYSA-N 1 2 191.265 2.930 10 30 AFEELO C=C(C)C[N@H+](CC)CC(F)(F)CC 639444803 347517928 /nfs/dbraw/zinc/51/79/28/347517928.db2.gz OVFUPGUEJBJINW-UHFFFAOYSA-N 1 2 191.265 2.930 10 30 AFEELO C=C1CC[NH+](CC(F)(F)CC)CC1 639481956 347520705 /nfs/dbraw/zinc/52/07/05/347520705.db2.gz GIUPFGOOVHPAKR-UHFFFAOYSA-N 1 2 189.249 2.684 10 30 AFEELO C=CC[N@@H+](CC(F)(F)CC)C1CC1 639559784 347524655 /nfs/dbraw/zinc/52/46/55/347524655.db2.gz SRLOWYNFBSXQKQ-UHFFFAOYSA-N 1 2 189.249 2.682 10 30 AFEELO C=CC[N@H+](CC(F)(F)CC)C1CC1 639559784 347524658 /nfs/dbraw/zinc/52/46/58/347524658.db2.gz SRLOWYNFBSXQKQ-UHFFFAOYSA-N 1 2 189.249 2.682 10 30 AFEELO C=C(C)C[N@@H+](C)CC(F)(F)CC 639572328 347525685 /nfs/dbraw/zinc/52/56/85/347525685.db2.gz PCAWOIJOWAJGPG-UHFFFAOYSA-N 1 2 177.238 2.540 10 30 AFEELO C=C(C)C[N@H+](C)CC(F)(F)CC 639572328 347525689 /nfs/dbraw/zinc/52/56/89/347525689.db2.gz PCAWOIJOWAJGPG-UHFFFAOYSA-N 1 2 177.238 2.540 10 30 AFEELO C=CCC[N@@H+](C)CC(F)(F)CC 639609485 347528321 /nfs/dbraw/zinc/52/83/21/347528321.db2.gz QEHNZBONAYLPSF-UHFFFAOYSA-N 1 2 177.238 2.540 10 30 AFEELO C=CCC[N@H+](C)CC(F)(F)CC 639609485 347528324 /nfs/dbraw/zinc/52/83/24/347528324.db2.gz QEHNZBONAYLPSF-UHFFFAOYSA-N 1 2 177.238 2.540 10 30 AFEELO C=CCCC[N@@H+]1OC2CCC1CC2 640228377 347548410 /nfs/dbraw/zinc/54/84/10/347548410.db2.gz FRMNBEWHTQGRTG-UHFFFAOYSA-N 1 2 181.279 2.511 10 30 AFEELO C=CCCC[N@H+]1OC2CCC1CC2 640228377 347548412 /nfs/dbraw/zinc/54/84/12/347548412.db2.gz FRMNBEWHTQGRTG-UHFFFAOYSA-N 1 2 181.279 2.511 10 30 AFEELO C=C(C)CC[N@@H+]1OC2CCC1CC2 640231185 347549447 /nfs/dbraw/zinc/54/94/47/347549447.db2.gz YZVUPYVSSLXZBN-UHFFFAOYSA-N 1 2 181.279 2.511 10 30 AFEELO C=C(C)CC[N@H+]1OC2CCC1CC2 640231185 347549451 /nfs/dbraw/zinc/54/94/51/347549451.db2.gz YZVUPYVSSLXZBN-UHFFFAOYSA-N 1 2 181.279 2.511 10 30 AFEELO C=CCCCC[N@@H+]1OC2CCC1CC2 640232799 347549957 /nfs/dbraw/zinc/54/99/57/347549957.db2.gz VXUOYDJDANYPJX-UHFFFAOYSA-N 1 2 195.306 2.901 10 30 AFEELO C=CCCCC[N@H+]1OC2CCC1CC2 640232799 347549962 /nfs/dbraw/zinc/54/99/62/347549962.db2.gz VXUOYDJDANYPJX-UHFFFAOYSA-N 1 2 195.306 2.901 10 30 AFEELO C/C(=[NH+]\C(C)(C)C)[C@@H](C)Cl 34448898 351440715 /nfs/dbraw/zinc/44/07/15/351440715.db2.gz DXWKOZITUNKANS-RSCIBMLMSA-N 1 2 161.676 2.873 10 30 AFEELO C[C@@](C#N)([NH2+]C1CC1)C1CCCCC1 37367021 351466745 /nfs/dbraw/zinc/46/67/45/351466745.db2.gz GBAFCBKZWLNLRG-LBPRGKRZSA-N 1 2 192.306 2.601 10 30 AFEELO CC(C)C[NH2+][C@@]1(C#N)CCC[C@H](C)C1 37939130 351476841 /nfs/dbraw/zinc/47/68/41/351476841.db2.gz WDUDTHMQULSWTF-RYUDHWBXSA-N 1 2 194.322 2.704 10 30 AFEELO CC(C)C[NH2+][C@@]1(C#N)CCC[C@@H](C)C1 37939129 351477071 /nfs/dbraw/zinc/47/70/71/351477071.db2.gz WDUDTHMQULSWTF-NEPJUHHUSA-N 1 2 194.322 2.704 10 30 AFEELO CC(C)C[NH2+][C@]1(C#N)CCC[C@@H](C)C1 37939127 351477346 /nfs/dbraw/zinc/47/73/46/351477346.db2.gz WDUDTHMQULSWTF-VXGBXAGGSA-N 1 2 194.322 2.704 10 30 AFEELO CC(C)C[NH2+][C@]1(C#N)CCC[C@H](C)C1 37939128 351477416 /nfs/dbraw/zinc/47/74/16/351477416.db2.gz WDUDTHMQULSWTF-NWDGAFQWSA-N 1 2 194.322 2.704 10 30 AFEELO CC[C@@H](C)[NH2+]C1(C#N)CCCCCC1 38064570 351478141 /nfs/dbraw/zinc/47/81/41/351478141.db2.gz AWVQGCMNTABBNH-LLVKDONJSA-N 1 2 194.322 2.991 10 30 AFEELO CC[C@@H](C)[NH2+]C1(C#N)CCC(C)CC1 38064568 351478357 /nfs/dbraw/zinc/47/83/57/351478357.db2.gz VKKGOZRVIJVYPM-MOENNCHZSA-N 1 2 194.322 2.847 10 30 AFEELO CC[C@@H](C#N)[NH2+]C1CCCCCCC1 43539192 351531203 /nfs/dbraw/zinc/53/12/03/351531203.db2.gz WUFHAXBXUNESBZ-NSHDSACASA-N 1 2 194.322 2.991 10 30 AFEELO C[C@H](C#N)[NH+]1CCC2(CCCC2)CC1 62953854 351590946 /nfs/dbraw/zinc/59/09/46/351590946.db2.gz SHNPLVFWRSPXSG-LLVKDONJSA-N 1 2 192.306 2.555 10 30 AFEELO C[C@@H](C#N)[NH+]1CCC2(CCCC2)CC1 62953853 351591025 /nfs/dbraw/zinc/59/10/25/351591025.db2.gz SHNPLVFWRSPXSG-NSHDSACASA-N 1 2 192.306 2.555 10 30 AFEELO C=CCC[P@@H+](C)c1ccccc1 205245705 351784534 /nfs/dbraw/zinc/78/45/34/351784534.db2.gz VZOSYILAJWCGBV-UHFFFAOYSA-N 1 2 178.215 3.000 10 30 AFEELO C=CCC[P@H+](C)c1ccccc1 205245705 351784538 /nfs/dbraw/zinc/78/45/38/351784538.db2.gz VZOSYILAJWCGBV-UHFFFAOYSA-N 1 2 178.215 3.000 10 30 AFEELO N#C[C@]1(C2CCCCC2)CCCC[NH2+]1 258564587 351864315 /nfs/dbraw/zinc/86/43/15/351864315.db2.gz FXNIWKMHZPFAJP-LBPRGKRZSA-N 1 2 192.306 2.603 10 30 AFEELO N#C[C@@]1(CC2CCCC2)CCCC[NH2+]1 260029118 351882443 /nfs/dbraw/zinc/88/24/43/351882443.db2.gz HQZDHEMAWFLESM-LBPRGKRZSA-N 1 2 192.306 2.603 10 30 AFEELO N#C[C@]1(CC2CCCC2)CCCC[NH2+]1 260029114 351882664 /nfs/dbraw/zinc/88/26/64/351882664.db2.gz HQZDHEMAWFLESM-GFCCVEGCSA-N 1 2 192.306 2.603 10 30 AFEELO CC1CCC([N@H+](CC#N)C2CC2)CC1 261106348 351889020 /nfs/dbraw/zinc/88/90/20/351889020.db2.gz FWACGKITHAECFW-UHFFFAOYSA-N 1 2 192.306 2.553 10 30 AFEELO CC1CCC([N@@H+](CC#N)C2CC2)CC1 261106348 351889023 /nfs/dbraw/zinc/88/90/23/351889023.db2.gz FWACGKITHAECFW-UHFFFAOYSA-N 1 2 192.306 2.553 10 30 AFEELO C=CCNc1[nH+]ccc2ccsc12 306286921 351916294 /nfs/dbraw/zinc/91/62/94/351916294.db2.gz GRCBVHSEZAGHOR-UHFFFAOYSA-N 1 2 190.271 2.894 10 30 AFEELO C[C@H](C#N)[N@@H+]1CCC2(CCCCC2)C1 306412692 351926970 /nfs/dbraw/zinc/92/69/70/351926970.db2.gz RDCWCPNGEKCMDV-LLVKDONJSA-N 1 2 192.306 2.555 10 30 AFEELO C[C@H](C#N)[N@H+]1CCC2(CCCCC2)C1 306412692 351926972 /nfs/dbraw/zinc/92/69/72/351926972.db2.gz RDCWCPNGEKCMDV-LLVKDONJSA-N 1 2 192.306 2.555 10 30 AFEELO C[C@@H](C#N)[N@@H+]1CCC2(CCCCC2)C1 306412693 351926986 /nfs/dbraw/zinc/92/69/86/351926986.db2.gz RDCWCPNGEKCMDV-NSHDSACASA-N 1 2 192.306 2.555 10 30 AFEELO C[C@@H](C#N)[N@H+]1CCC2(CCCCC2)C1 306412693 351926988 /nfs/dbraw/zinc/92/69/88/351926988.db2.gz RDCWCPNGEKCMDV-NSHDSACASA-N 1 2 192.306 2.555 10 30 AFEELO C=CC[N@@H+]1Cc2cccc(Cl)c2C1 306504960 351939050 /nfs/dbraw/zinc/93/90/50/351939050.db2.gz DTJIEFKNOJYYTA-UHFFFAOYSA-N 1 2 193.677 2.842 10 30 AFEELO C=CC[N@H+]1Cc2cccc(Cl)c2C1 306504960 351939052 /nfs/dbraw/zinc/93/90/52/351939052.db2.gz DTJIEFKNOJYYTA-UHFFFAOYSA-N 1 2 193.677 2.842 10 30 AFEELO C[N@H+](CC#N)[C@H]1CCC[C@H]1C(C)(C)C 334958581 352086677 /nfs/dbraw/zinc/08/66/77/352086677.db2.gz HBQKDMSNBVVOSP-MNOVXSKESA-N 1 2 194.322 2.657 10 30 AFEELO C[N@H+](CC#N)[C@@H]1CCC[C@@H]1C(C)(C)C 334958583 352086617 /nfs/dbraw/zinc/08/66/17/352086617.db2.gz HBQKDMSNBVVOSP-WDEREUQCSA-N 1 2 194.322 2.657 10 30 AFEELO C[N@@H+](CC#N)[C@@H]1CCC[C@@H]1C(C)(C)C 334958583 352086619 /nfs/dbraw/zinc/08/66/19/352086619.db2.gz HBQKDMSNBVVOSP-WDEREUQCSA-N 1 2 194.322 2.657 10 30 AFEELO C[N@H+](CC#N)[C@H]1CCC[C@@H]1C(C)(C)C 334958582 352086672 /nfs/dbraw/zinc/08/66/72/352086672.db2.gz HBQKDMSNBVVOSP-QWRGUYRKSA-N 1 2 194.322 2.657 10 30 AFEELO C[N@@H+](CC#N)[C@H]1CCC[C@@H]1C(C)(C)C 334958582 352086673 /nfs/dbraw/zinc/08/66/73/352086673.db2.gz HBQKDMSNBVVOSP-QWRGUYRKSA-N 1 2 194.322 2.657 10 30 AFEELO C[N@@H+](CC#N)[C@H]1CCC[C@H]1C(C)(C)C 334958581 352086679 /nfs/dbraw/zinc/08/66/79/352086679.db2.gz HBQKDMSNBVVOSP-MNOVXSKESA-N 1 2 194.322 2.657 10 30 AFEELO C[N@H+](CC#N)[C@@H]1CCC[C@H]1C(C)(C)C 334958580 352086684 /nfs/dbraw/zinc/08/66/84/352086684.db2.gz HBQKDMSNBVVOSP-GHMZBOCLSA-N 1 2 194.322 2.657 10 30 AFEELO C[N@@H+](CC#N)[C@@H]1CCC[C@H]1C(C)(C)C 334958580 352086685 /nfs/dbraw/zinc/08/66/85/352086685.db2.gz HBQKDMSNBVVOSP-GHMZBOCLSA-N 1 2 194.322 2.657 10 30 AFEELO C=CC[N@H+]1Cc2ccc(Cl)cc2C1 335158255 352090497 /nfs/dbraw/zinc/09/04/97/352090497.db2.gz HZKTWQFWZJGAGN-UHFFFAOYSA-N 1 2 193.677 2.842 10 30 AFEELO C=CC[N@@H+]1Cc2ccc(Cl)cc2C1 335158255 352090499 /nfs/dbraw/zinc/09/04/99/352090499.db2.gz HZKTWQFWZJGAGN-UHFFFAOYSA-N 1 2 193.677 2.842 10 30 AFEELO C[C@@H](C#N)[N@@H+]1CCCC2(CCCC2)C1 336180376 352128336 /nfs/dbraw/zinc/12/83/36/352128336.db2.gz WZXRYSJVRDYXMV-NSHDSACASA-N 1 2 192.306 2.555 10 30 AFEELO C[C@@H](C#N)[N@H+]1CCCC2(CCCC2)C1 336180376 352128339 /nfs/dbraw/zinc/12/83/39/352128339.db2.gz WZXRYSJVRDYXMV-NSHDSACASA-N 1 2 192.306 2.555 10 30 AFEELO C[C@H](C#N)[N@@H+]1CCCC2(CCCC2)C1 336180375 352128464 /nfs/dbraw/zinc/12/84/64/352128464.db2.gz WZXRYSJVRDYXMV-LLVKDONJSA-N 1 2 192.306 2.555 10 30 AFEELO C[C@H](C#N)[N@H+]1CCCC2(CCCC2)C1 336180375 352128467 /nfs/dbraw/zinc/12/84/67/352128467.db2.gz WZXRYSJVRDYXMV-LLVKDONJSA-N 1 2 192.306 2.555 10 30 AFEELO C[C@@H]1CC[N@@H+](C(C)(C)C#N)CC1(C)C 336348169 352137844 /nfs/dbraw/zinc/13/78/44/352137844.db2.gz FOOQJNRDYCAZHR-SNVBAGLBSA-N 1 2 194.322 2.657 10 30 AFEELO C[C@@H]1CC[N@H+](C(C)(C)C#N)CC1(C)C 336348169 352137846 /nfs/dbraw/zinc/13/78/46/352137846.db2.gz FOOQJNRDYCAZHR-SNVBAGLBSA-N 1 2 194.322 2.657 10 30 AFEELO C[C@H]1CC[N@@H+](C(C)(C)C#N)CC1(C)C 336348168 352137862 /nfs/dbraw/zinc/13/78/62/352137862.db2.gz FOOQJNRDYCAZHR-JTQLQIEISA-N 1 2 194.322 2.657 10 30 AFEELO C[C@H]1CC[N@H+](C(C)(C)C#N)CC1(C)C 336348168 352137865 /nfs/dbraw/zinc/13/78/65/352137865.db2.gz FOOQJNRDYCAZHR-JTQLQIEISA-N 1 2 194.322 2.657 10 30 AFEELO CC[C@]1(C)CCC[N@@H+](C(C)(C)C#N)C1 336541215 352144804 /nfs/dbraw/zinc/14/48/04/352144804.db2.gz XYJCUPILAAXYGC-GFCCVEGCSA-N 1 2 194.322 2.801 10 30 AFEELO CC[C@]1(C)CCC[N@H+](C(C)(C)C#N)C1 336541215 352144805 /nfs/dbraw/zinc/14/48/05/352144805.db2.gz XYJCUPILAAXYGC-GFCCVEGCSA-N 1 2 194.322 2.801 10 30 AFEELO CC[C@@]1(C)CCC[N@@H+](C(C)(C)C#N)C1 336541216 352144818 /nfs/dbraw/zinc/14/48/18/352144818.db2.gz XYJCUPILAAXYGC-LBPRGKRZSA-N 1 2 194.322 2.801 10 30 AFEELO CC[C@@]1(C)CCC[N@H+](C(C)(C)C#N)C1 336541216 352144819 /nfs/dbraw/zinc/14/48/19/352144819.db2.gz XYJCUPILAAXYGC-LBPRGKRZSA-N 1 2 194.322 2.801 10 30 AFEELO C=CC[C@H]1[N@@H+](CC#N)CCCC1(C)C 336570609 352148667 /nfs/dbraw/zinc/14/86/67/352148667.db2.gz IFGLBNXDRHEZBE-LLVKDONJSA-N 1 2 192.306 2.577 10 30 AFEELO C=CC[C@H]1[N@H+](CC#N)CCCC1(C)C 336570609 352148670 /nfs/dbraw/zinc/14/86/70/352148670.db2.gz IFGLBNXDRHEZBE-LLVKDONJSA-N 1 2 192.306 2.577 10 30 AFEELO C=CC[C@@H]1[N@@H+](CC#N)CCCC1(C)C 336570610 352148808 /nfs/dbraw/zinc/14/88/08/352148808.db2.gz IFGLBNXDRHEZBE-NSHDSACASA-N 1 2 192.306 2.577 10 30 AFEELO C=CC[C@@H]1[N@H+](CC#N)CCCC1(C)C 336570610 352148810 /nfs/dbraw/zinc/14/88/10/352148810.db2.gz IFGLBNXDRHEZBE-NSHDSACASA-N 1 2 192.306 2.577 10 30 AFEELO N#CC[N@@H+]1CCC[C@@H]1CC1CCCC1 594054040 352919466 /nfs/dbraw/zinc/91/94/66/352919466.db2.gz TZZXOAGTSGCZKK-GFCCVEGCSA-N 1 2 192.306 2.555 10 30 AFEELO N#CC[N@H+]1CCC[C@@H]1CC1CCCC1 594054040 352919469 /nfs/dbraw/zinc/91/94/69/352919469.db2.gz TZZXOAGTSGCZKK-GFCCVEGCSA-N 1 2 192.306 2.555 10 30 AFEELO N#CC[N@@H+]1CCC[C@H]1CC1CCCC1 594054045 352919486 /nfs/dbraw/zinc/91/94/86/352919486.db2.gz TZZXOAGTSGCZKK-LBPRGKRZSA-N 1 2 192.306 2.555 10 30 AFEELO N#CC[N@H+]1CCC[C@H]1CC1CCCC1 594054045 352919487 /nfs/dbraw/zinc/91/94/87/352919487.db2.gz TZZXOAGTSGCZKK-LBPRGKRZSA-N 1 2 192.306 2.555 10 30 AFEELO C[C@@H]1C[C@@H]([NH2+][C@H](C)C#N)CC(C)(C)C1 306316373 371750985 /nfs/dbraw/zinc/75/09/85/371750985.db2.gz RGRXDBHWJNFMAD-GMTAPVOTSA-N 1 2 194.322 2.703 10 30 AFEELO C[C@@H]1C[C@H]([NH2+][C@H](C)C#N)CC(C)(C)C1 306316382 371750994 /nfs/dbraw/zinc/75/09/94/371750994.db2.gz RGRXDBHWJNFMAD-MXWKQRLJSA-N 1 2 194.322 2.703 10 30 AFEELO C[C@@H]1C[C@H]([NH2+][C@@H](C)C#N)CC(C)(C)C1 306316401 371751082 /nfs/dbraw/zinc/75/10/82/371751082.db2.gz RGRXDBHWJNFMAD-VWYCJHECSA-N 1 2 194.322 2.703 10 30 AFEELO C[C@@H]1C[C@@H]([NH2+][C@@H](C)C#N)CC(C)(C)C1 306316390 371751114 /nfs/dbraw/zinc/75/11/14/371751114.db2.gz RGRXDBHWJNFMAD-OUAUKWLOSA-N 1 2 194.322 2.703 10 30 AFEELO CC1(C)CC[N@H+](CC#N)CC(C)(C)C1 595748299 371857797 /nfs/dbraw/zinc/85/77/97/371857797.db2.gz FJCTZTOCLHDYEF-UHFFFAOYSA-N 1 2 194.322 2.658 10 30 AFEELO CC1(C)CC[N@@H+](CC#N)CC(C)(C)C1 595748299 371857801 /nfs/dbraw/zinc/85/78/01/371857801.db2.gz FJCTZTOCLHDYEF-UHFFFAOYSA-N 1 2 194.322 2.658 10 30 AFEELO CC[N@H+](C[C@H](C)CC(C)C)[C@H](C)C#N 595819530 371858742 /nfs/dbraw/zinc/85/87/42/371858742.db2.gz CJEQGONRBNUXQM-VXGBXAGGSA-N 1 2 196.338 2.903 10 30 AFEELO CC[N@@H+](C[C@H](C)CC(C)C)[C@H](C)C#N 595819530 371858747 /nfs/dbraw/zinc/85/87/47/371858747.db2.gz CJEQGONRBNUXQM-VXGBXAGGSA-N 1 2 196.338 2.903 10 30 AFEELO CC[N@H+](C[C@@H](C)CC(C)C)[C@@H](C)C#N 595819529 371858825 /nfs/dbraw/zinc/85/88/25/371858825.db2.gz CJEQGONRBNUXQM-RYUDHWBXSA-N 1 2 196.338 2.903 10 30 AFEELO CC[N@@H+](C[C@@H](C)CC(C)C)[C@@H](C)C#N 595819529 371858828 /nfs/dbraw/zinc/85/88/28/371858828.db2.gz CJEQGONRBNUXQM-RYUDHWBXSA-N 1 2 196.338 2.903 10 30 AFEELO CC[N@H+](C[C@@H](C)CC(C)C)[C@H](C)C#N 595819528 371858992 /nfs/dbraw/zinc/85/89/92/371858992.db2.gz CJEQGONRBNUXQM-NWDGAFQWSA-N 1 2 196.338 2.903 10 30 AFEELO CC[N@@H+](C[C@@H](C)CC(C)C)[C@H](C)C#N 595819528 371858996 /nfs/dbraw/zinc/85/89/96/371858996.db2.gz CJEQGONRBNUXQM-NWDGAFQWSA-N 1 2 196.338 2.903 10 30 AFEELO CC[N@H+](C[C@H](C)CC(C)C)[C@@H](C)C#N 595819527 371859122 /nfs/dbraw/zinc/85/91/22/371859122.db2.gz CJEQGONRBNUXQM-NEPJUHHUSA-N 1 2 196.338 2.903 10 30 AFEELO CC[N@@H+](C[C@H](C)CC(C)C)[C@@H](C)C#N 595819527 371859127 /nfs/dbraw/zinc/85/91/27/371859127.db2.gz CJEQGONRBNUXQM-NEPJUHHUSA-N 1 2 196.338 2.903 10 30 AFEELO CCCCC1CCC(/C(N)=[NH+]/O)CC1 16034612 409314364 /nfs/dbraw/zinc/31/43/64/409314364.db2.gz OEODZEACJFIHFT-UHFFFAOYSA-N 1 2 198.310 2.729 10 30 AFEELO C=CC[C@H]1CCC[N@H+](CC(F)F)C1 661379720 409641161 /nfs/dbraw/zinc/64/11/61/409641161.db2.gz HIPXJKXUOGPKBI-VIFPVBQESA-N 1 2 189.249 2.540 10 30 AFEELO C=CC[C@H]1CCC[N@@H+](CC(F)F)C1 661379720 409641158 /nfs/dbraw/zinc/64/11/58/409641158.db2.gz HIPXJKXUOGPKBI-VIFPVBQESA-N 1 2 189.249 2.540 10 30 AFEELO C=CC[C@@H]1CCC[N@@H+](CC(F)F)C1 661379719 409641710 /nfs/dbraw/zinc/64/17/10/409641710.db2.gz HIPXJKXUOGPKBI-SECBINFHSA-N 1 2 189.249 2.540 10 30 AFEELO C=CC[C@@H]1CCC[N@H+](CC(F)F)C1 661379719 409641716 /nfs/dbraw/zinc/64/17/16/409641716.db2.gz HIPXJKXUOGPKBI-SECBINFHSA-N 1 2 189.249 2.540 10 30 AFEELO C=CC[N@H+](CC(F)F)C(C)(C)C 661756269 409660520 /nfs/dbraw/zinc/66/05/20/409660520.db2.gz IFVYCQUUVIOTJF-UHFFFAOYSA-N 1 2 177.238 2.538 10 30 AFEELO C=CC[N@@H+](CC(F)F)C(C)(C)C 661756269 409660522 /nfs/dbraw/zinc/66/05/22/409660522.db2.gz IFVYCQUUVIOTJF-UHFFFAOYSA-N 1 2 177.238 2.538 10 30 AFEELO C[S+](C)c1c[nH]c2ccc(F)cc12 584609486 410122288 /nfs/dbraw/zinc/12/22/88/410122288.db2.gz UTXGPBQZXZOINQ-UHFFFAOYSA-N 1 2 196.270 2.544 10 30 AFEELO C=CCCCC[N@@H+](C)CC(F)F 649285869 410184482 /nfs/dbraw/zinc/18/44/82/410184482.db2.gz ANCHAZKBZXCZPQ-UHFFFAOYSA-N 1 2 177.238 2.540 10 30 AFEELO C=CCCCC[N@H+](C)CC(F)F 649285869 410184486 /nfs/dbraw/zinc/18/44/86/410184486.db2.gz ANCHAZKBZXCZPQ-UHFFFAOYSA-N 1 2 177.238 2.540 10 30 AFEELO C=C(CC)C[N@H+]1CCCC(F)(F)C1 649694961 410226532 /nfs/dbraw/zinc/22/65/32/410226532.db2.gz BHGJGXNFVBXZCL-UHFFFAOYSA-N 1 2 189.249 2.684 10 30 AFEELO C=C(CC)C[N@@H+]1CCCC(F)(F)C1 649694961 410226526 /nfs/dbraw/zinc/22/65/26/410226526.db2.gz BHGJGXNFVBXZCL-UHFFFAOYSA-N 1 2 189.249 2.684 10 30 AFEELO CC(C)C[C@@H](C)[C@@H](C#N)[NH2+]CC1CC1 300932528 572086762 /nfs/dbraw/zinc/08/67/62/572086762.db2.gz NWRVZJMYHMODDV-ZYHUDNBSSA-N 1 2 194.322 2.560 10 30 AFEELO CCC1(CC)C[NH+]([C@](C)(C#N)CC)C1 308300289 573166805 /nfs/dbraw/zinc/16/68/05/573166805.db2.gz MPJQXJYRHRCTIV-NSHDSACASA-N 1 2 194.322 2.801 10 30 AFEELO CC[NH+](CC)[C@@H](C#N)[C@H](C)C(C)C 308294572 573183837 /nfs/dbraw/zinc/18/38/37/573183837.db2.gz ROAHTIWUFMCTJX-MNOVXSKESA-N 1 2 182.311 2.512 10 30 AFEELO C=CCC[C@](C)(C#N)[NH2+]C1CCCC1 132080214 573208659 /nfs/dbraw/zinc/20/86/59/573208659.db2.gz DCMDYKKZDUMZTI-GFCCVEGCSA-N 1 2 192.306 2.767 10 30 AFEELO Cc1cc([C@H](S)[NH+](C)C)ccc1F 259388814 573237508 /nfs/dbraw/zinc/23/75/08/573237508.db2.gz GWLOADYPEFXXSX-JTQLQIEISA-N 1 2 199.294 2.624 10 30 AFEELO C=CCC/[NH+]=C(\C)c1ccccc1O 308338767 573271991 /nfs/dbraw/zinc/27/19/91/573271991.db2.gz VUIZIXKNLMFRCT-JLHYYAGUSA-N 1 2 189.258 2.777 10 30 AFEELO C=CC[C@@H](C)[C@@H]([NH2+]N)C(C)(CC)CC 715750577 573274081 /nfs/dbraw/zinc/27/40/81/573274081.db2.gz VLCLABRCFXGCRC-GHMZBOCLSA-N 1 2 198.354 2.857 10 30 AFEELO C=CC[C@@H](C)[C@H]([NH2+]N)C(C)(CC)CC 715750578 573273657 /nfs/dbraw/zinc/27/36/57/573273657.db2.gz VLCLABRCFXGCRC-MNOVXSKESA-N 1 2 198.354 2.857 10 30 AFEELO C=CC[C@H](C)[C@H]([NH2+]N)C(C)(CC)CC 715750580 573273832 /nfs/dbraw/zinc/27/38/32/573273832.db2.gz VLCLABRCFXGCRC-QWRGUYRKSA-N 1 2 198.354 2.857 10 30 AFEELO C=CC[C@@H](C)[C@@H]([NH2+]N)C1CCCCC1 715756386 573276935 /nfs/dbraw/zinc/27/69/35/573276935.db2.gz ISHSXOOFDPTISN-ZYHUDNBSSA-N 1 2 196.338 2.611 10 30 AFEELO CC[C@H](C)[NH2+][C@H](C#N)C1(CC)CCC1 686134486 573298900 /nfs/dbraw/zinc/29/89/00/573298900.db2.gz UILBBNXWJWJWQW-WDEREUQCSA-N 1 2 194.322 2.847 10 30 AFEELO CCCCCC[C@]1(C#N)CCCC[NH2+]1 308550529 573329869 /nfs/dbraw/zinc/32/98/69/573329869.db2.gz ROLGAEMQBFRWHV-GFCCVEGCSA-N 1 2 194.322 2.993 10 30 AFEELO CCC(CC)/[NH+]=C/c1ccccc1O 308372659 573383979 /nfs/dbraw/zinc/38/39/79/573383979.db2.gz UATWQMZQDBNVEX-UKTHLTGXSA-N 1 2 191.274 3.000 10 30 AFEELO CCC(CC)[C@H](C)[NH2+]C(C)(C)C#N 308391821 573470702 /nfs/dbraw/zinc/47/07/02/573470702.db2.gz ZZFKQNVVDKUMDX-VIFPVBQESA-N 1 2 182.311 2.703 10 30 AFEELO C[C@@H](C#N)[NH2+]CC(C)(C)C(C)(C)C 258691269 573494303 /nfs/dbraw/zinc/49/43/03/573494303.db2.gz DBLCJJRPECAMTF-VIFPVBQESA-N 1 2 182.311 2.560 10 30 AFEELO C[C@@H]1CCC[C@](C#N)([NH2+]C2CC2)CC1 83428322 573499926 /nfs/dbraw/zinc/49/99/26/573499926.db2.gz MLKPTZFKIATXOH-PWSUYJOCSA-N 1 2 192.306 2.601 10 30 AFEELO C[C@H]1CCC[C@](C#N)([NH2+]C2CC2)CC1 83428323 573499937 /nfs/dbraw/zinc/49/99/37/573499937.db2.gz MLKPTZFKIATXOH-JQWIXIFHSA-N 1 2 192.306 2.601 10 30 AFEELO CC(C)[NH2+][C@]1(C#N)CCC[C@H](C)CC1 83428317 573500717 /nfs/dbraw/zinc/50/07/17/573500717.db2.gz VTCQRRPOCMVGFL-NWDGAFQWSA-N 1 2 194.322 2.847 10 30 AFEELO CCC[NH2+][C@]1(C#N)CCC[C@@H](C)CC1 83428314 573501140 /nfs/dbraw/zinc/50/11/40/573501140.db2.gz CIRMYKFXUZGDME-VXGBXAGGSA-N 1 2 194.322 2.849 10 30 AFEELO CC(C)[NH2+][C@@]1(C#N)CCC[C@H](C)CC1 83428319 573501240 /nfs/dbraw/zinc/50/12/40/573501240.db2.gz VTCQRRPOCMVGFL-RYUDHWBXSA-N 1 2 194.322 2.847 10 30 AFEELO N#CCC[NH+]1CC2(CCCCCC2)C1 86681355 573565381 /nfs/dbraw/zinc/56/53/81/573565381.db2.gz DEAXVKWUXBBZDQ-UHFFFAOYSA-N 1 2 192.306 2.556 10 30 AFEELO CCCC1(CCC)C[NH+](CCC#N)C1 86681366 573565991 /nfs/dbraw/zinc/56/59/91/573565991.db2.gz XKIDNRNRTPYAON-UHFFFAOYSA-N 1 2 194.322 2.802 10 30 AFEELO C[N@H+](CCC1CCCC1)C(C)(C)C#N 258798426 573587636 /nfs/dbraw/zinc/58/76/36/573587636.db2.gz NANDPQYYESDXIN-UHFFFAOYSA-N 1 2 194.322 2.801 10 30 AFEELO C[N@@H+](CCC1CCCC1)C(C)(C)C#N 258798426 573587642 /nfs/dbraw/zinc/58/76/42/573587642.db2.gz NANDPQYYESDXIN-UHFFFAOYSA-N 1 2 194.322 2.801 10 30 AFEELO C/[NH+]=C(\SC)c1cccc(C)c1 258884586 573697319 /nfs/dbraw/zinc/69/73/19/573697319.db2.gz XZPKRJJQRSAUTN-KHPPLWFESA-N 1 2 179.288 2.734 10 30 AFEELO Cc1ccc(C[N@H+](C)CS)cc1C 258901424 573744743 /nfs/dbraw/zinc/74/47/43/573744743.db2.gz KTKYLTQBCBXTSS-UHFFFAOYSA-N 1 2 195.331 2.623 10 30 AFEELO Cc1ccc(C[N@@H+](C)CS)cc1C 258901424 573744747 /nfs/dbraw/zinc/74/47/47/573744747.db2.gz KTKYLTQBCBXTSS-UHFFFAOYSA-N 1 2 195.331 2.623 10 30 AFEELO Cc1cc(C(F)F)c(CC#N)c(C)[nH+]1 238501882 573746374 /nfs/dbraw/zinc/74/63/74/573746374.db2.gz DKGXQRFVALSHGH-UHFFFAOYSA-N 1 2 196.200 2.702 10 30 AFEELO Cc1[nH+]ccc2cc(CCC=O)ccc12 258119169 573756145 /nfs/dbraw/zinc/75/61/45/573756145.db2.gz LYQMKSFFQYOJQN-UHFFFAOYSA-N 1 2 199.253 2.675 10 30 AFEELO CC(C)(C[NH2+]CC#N)C1CCCCC1 258911783 573756460 /nfs/dbraw/zinc/75/64/60/573756460.db2.gz SWGUPVJOEBQTFU-UHFFFAOYSA-N 1 2 194.322 2.706 10 30 AFEELO CC(C)CCC[N@H+](C)C(C)(C)C#N 258915796 573756472 /nfs/dbraw/zinc/75/64/72/573756472.db2.gz ZOVLWBAGVYNUFO-UHFFFAOYSA-N 1 2 182.311 2.657 10 30 AFEELO CC(C)CCC[N@@H+](C)C(C)(C)C#N 258915796 573756476 /nfs/dbraw/zinc/75/64/76/573756476.db2.gz ZOVLWBAGVYNUFO-UHFFFAOYSA-N 1 2 182.311 2.657 10 30 AFEELO Cc1ccc([C@@H](CC#N)[NH+](C)C)cc1 259567744 573775687 /nfs/dbraw/zinc/77/56/87/573775687.db2.gz PBDPEDLQTUYXNV-GFCCVEGCSA-N 1 2 188.274 2.511 10 30 AFEELO C=CCC[C@@H]([NH2+]N)C(C)(C)C(C)(C)C 308742048 573783925 /nfs/dbraw/zinc/78/39/25/573783925.db2.gz PKJHIXZPWGMQJY-SNVBAGLBSA-N 1 2 198.354 2.857 10 30 AFEELO C=CCC[C@H](CCC)Nc1c[nH]c[nH+]1 308723560 573787287 /nfs/dbraw/zinc/78/72/87/573787287.db2.gz FKNJCFYBOUVTPI-JTQLQIEISA-N 1 2 193.294 2.957 10 30 AFEELO CCc1ccc(C[N@H+](C)CS)cc1 258955615 573808392 /nfs/dbraw/zinc/80/83/92/573808392.db2.gz SABKETCNGKZAFH-UHFFFAOYSA-N 1 2 195.331 2.568 10 30 AFEELO CCc1ccc(C[N@@H+](C)CS)cc1 258955615 573808397 /nfs/dbraw/zinc/80/83/97/573808397.db2.gz SABKETCNGKZAFH-UHFFFAOYSA-N 1 2 195.331 2.568 10 30 AFEELO CCC(CC)[C@H](C#N)[NH2+][C@H](C)CC 41049771 573814467 /nfs/dbraw/zinc/81/44/67/573814467.db2.gz DFIXJHWMMRVCEY-KOLCDFICSA-N 1 2 182.311 2.703 10 30 AFEELO CCCC[C@@H](C#N)[NH2+]C1CCCCC1 41053320 573826542 /nfs/dbraw/zinc/82/65/42/573826542.db2.gz YNSAMUCLBGRAIB-LBPRGKRZSA-N 1 2 194.322 2.991 10 30 AFEELO CCCCCC[C@H](C)[NH2+][C@@H](C)C#N 43515448 573826699 /nfs/dbraw/zinc/82/66/99/573826699.db2.gz UQMXPTAKLGDKAE-QWRGUYRKSA-N 1 2 182.311 2.847 10 30 AFEELO CCC1CCC(C[NH2+][C@H](C)C#N)CC1 43515079 573830466 /nfs/dbraw/zinc/83/04/66/573830466.db2.gz NCHUBOIYAXOZHX-VOMCLLRMSA-N 1 2 194.322 2.704 10 30 AFEELO CCC1CCC(C[NH2+][C@@H](C)C#N)CC1 43515078 573830631 /nfs/dbraw/zinc/83/06/31/573830631.db2.gz NCHUBOIYAXOZHX-UNXYVOJBSA-N 1 2 194.322 2.704 10 30 AFEELO N#C[C@H]([NH2+]C1CC1)C1CCCCCC1 84329655 573830974 /nfs/dbraw/zinc/83/09/74/573830974.db2.gz SYTTTWWCDSLFHJ-LBPRGKRZSA-N 1 2 192.306 2.601 10 30 AFEELO CCCCC[N@H+](C(C)C)[C@H](C)C#N 43522322 573831671 /nfs/dbraw/zinc/83/16/71/573831671.db2.gz LSQJYPDNDRRFPQ-LLVKDONJSA-N 1 2 182.311 2.799 10 30 AFEELO CCCCC[N@@H+](C(C)C)[C@H](C)C#N 43522322 573831676 /nfs/dbraw/zinc/83/16/76/573831676.db2.gz LSQJYPDNDRRFPQ-LLVKDONJSA-N 1 2 182.311 2.799 10 30 AFEELO Cc1cc2[nH+]cn([C@@H](C)C#N)c2cc1C 43522436 573831963 /nfs/dbraw/zinc/83/19/63/573831963.db2.gz ASPCYFHBONGZSS-JTQLQIEISA-N 1 2 199.257 2.738 10 30 AFEELO CCC1CCC([NH2+][C@H](C#N)CC)CC1 43541021 573831984 /nfs/dbraw/zinc/83/19/84/573831984.db2.gz YZVPVDAOUHFILU-CXQJBGSLSA-N 1 2 194.322 2.847 10 30 AFEELO CCCCC[C@@H](C)[NH2+][C@@H](C#N)CC 43540989 573832625 /nfs/dbraw/zinc/83/26/25/573832625.db2.gz ZRDJICCCNZBNPO-GHMZBOCLSA-N 1 2 182.311 2.847 10 30 AFEELO CC[C@H](C#N)[NH2+]C[C@H]1CCCC[C@@H]1C 43541553 573835337 /nfs/dbraw/zinc/83/53/37/573835337.db2.gz QIAKKOCUHGAGBH-QJPTWQEYSA-N 1 2 194.322 2.704 10 30 AFEELO CCCC1CCC([NH2+][C@H](C)C#N)CC1 43515525 573835579 /nfs/dbraw/zinc/83/55/79/573835579.db2.gz CSLAQWNOVVIRBB-VOMCLLRMSA-N 1 2 194.322 2.847 10 30 AFEELO CCCC[NH+](CCCC)[C@H](C)C#N 43521884 573835780 /nfs/dbraw/zinc/83/57/80/573835780.db2.gz KWZJTIYZGRPUES-LLVKDONJSA-N 1 2 182.311 2.801 10 30 AFEELO CC[C@@H](C#N)[NH2+]CCC1CCCCC1 43540382 573841880 /nfs/dbraw/zinc/84/18/80/573841880.db2.gz LECCJZIKOOFDMU-LBPRGKRZSA-N 1 2 194.322 2.849 10 30 AFEELO CC(C)c1[nH+]c(CC#N)c2ccccn12 214981531 573842225 /nfs/dbraw/zinc/84/22/25/573842225.db2.gz LULMIDVFFQSZPO-UHFFFAOYSA-N 1 2 199.257 2.524 10 30 AFEELO CC[C@@H](C#N)[N@H+](C)[C@@H](C)CC(C)C 43556757 573846632 /nfs/dbraw/zinc/84/66/32/573846632.db2.gz FOFZJLCPHWIFRP-QWRGUYRKSA-N 1 2 182.311 2.655 10 30 AFEELO CC[C@@H](C#N)[N@@H+](C)[C@@H](C)CC(C)C 43556757 573846637 /nfs/dbraw/zinc/84/66/37/573846637.db2.gz FOFZJLCPHWIFRP-QWRGUYRKSA-N 1 2 182.311 2.655 10 30 AFEELO CC[C@@H](C#N)n1c(C)[nH+]c2ccccc21 43556853 573847785 /nfs/dbraw/zinc/84/77/85/573847785.db2.gz OLUAJAPPTSWHIT-JTQLQIEISA-N 1 2 199.257 2.819 10 30 AFEELO C[C@H](C#N)[NH2+]CC(C)(C)C1=CCCC1 308769254 573858809 /nfs/dbraw/zinc/85/88/09/573858809.db2.gz XUDQXVVRBOVBLJ-SNVBAGLBSA-N 1 2 192.306 2.625 10 30 AFEELO C=CCC[C@H](CC)[NH2+]CC(F)(F)F 308457654 573862050 /nfs/dbraw/zinc/86/20/50/573862050.db2.gz GKUZQPSKQPRGJK-QMMMGPOBSA-N 1 2 195.228 2.883 10 30 AFEELO C[C@@H](C#N)[N@H+](C)C1CCC(C)(C)CC1 87287473 573867278 /nfs/dbraw/zinc/86/72/78/573867278.db2.gz ZGGZFTGZBAZCSH-JTQLQIEISA-N 1 2 194.322 2.799 10 30 AFEELO C[C@@H](C#N)[N@@H+](C)C1CCC(C)(C)CC1 87287473 573867282 /nfs/dbraw/zinc/86/72/82/573867282.db2.gz ZGGZFTGZBAZCSH-JTQLQIEISA-N 1 2 194.322 2.799 10 30 AFEELO N#C[C@H]([NH2+]C1CCCCC1)C1CCC1 87585287 573955422 /nfs/dbraw/zinc/95/54/22/573955422.db2.gz WKDICGQDRVHYDT-LBPRGKRZSA-N 1 2 192.306 2.601 10 30 AFEELO N#C[C@@H]([NH2+]C1CCCCC1)C1CCC1 87585288 573955753 /nfs/dbraw/zinc/95/57/53/573955753.db2.gz WKDICGQDRVHYDT-GFCCVEGCSA-N 1 2 192.306 2.601 10 30 AFEELO C=CC[C@H]1CC[N@H+]1CC(F)(F)CC 934459853 629883976 /nfs/dbraw/zinc/88/39/76/629883976.db2.gz MJZRUVXKCSBRJK-VIFPVBQESA-N 1 2 189.249 2.682 10 30 AFEELO C=CC[C@H]1CC[N@@H+]1CC(F)(F)CC 934459853 629883982 /nfs/dbraw/zinc/88/39/82/629883982.db2.gz MJZRUVXKCSBRJK-VIFPVBQESA-N 1 2 189.249 2.682 10 30 AFEELO C=CC[C@@H]1CC[N@H+]1CC(F)(F)CC 934459848 629886592 /nfs/dbraw/zinc/88/65/92/629886592.db2.gz MJZRUVXKCSBRJK-SECBINFHSA-N 1 2 189.249 2.682 10 30 AFEELO C=CC[C@@H]1CC[N@@H+]1CC(F)(F)CC 934459848 629886593 /nfs/dbraw/zinc/88/65/93/629886593.db2.gz MJZRUVXKCSBRJK-SECBINFHSA-N 1 2 189.249 2.682 10 30 AFEELO C=CCCCCC[N@H+]1CCC[C@H]1C#N 232572162 1224234089 /nfs/dbraw/zinc/23/40/89/1224234089.db2.gz HUILLYZXWWONIJ-LBPRGKRZSA-N 1 2 192.306 2.721 10 30 AFEELO C=CCCCCC[N@@H+]1CCC[C@H]1C#N 232572162 1224234080 /nfs/dbraw/zinc/23/40/80/1224234080.db2.gz HUILLYZXWWONIJ-LBPRGKRZSA-N 1 2 192.306 2.721 10 30 AFEELO CCC(CC)[NH2+]C(C#N)(CC)CC 308029776 1224293329 /nfs/dbraw/zinc/29/33/29/1224293329.db2.gz MRLBRBVHVZTEIZ-UHFFFAOYSA-N 1 2 182.311 2.847 10 30 AFEELO