smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(C)(C)C1CCC(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736311598 944797951 /nfs/dbraw/zinc/79/79/51/944797951.db2.gz AMJAGHWYNQRHOM-UHFFFAOYSA-N -1 3 354.458 3.579 20 50 FHGDHM CCC(C)(C)C1CCC(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736311598 944797953 /nfs/dbraw/zinc/79/79/53/944797953.db2.gz AMJAGHWYNQRHOM-UHFFFAOYSA-N -1 3 354.458 3.579 20 50 FHGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1ccc(Cl)s1 ZINC000826379552 948173777 /nfs/dbraw/zinc/17/37/77/948173777.db2.gz VIVKMYWFBNKNOL-UITAMQMPSA-N -1 3 359.773 3.511 20 50 FHGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1ccc(Cl)s1 ZINC000826379552 948173781 /nfs/dbraw/zinc/17/37/81/948173781.db2.gz VIVKMYWFBNKNOL-UITAMQMPSA-N -1 3 359.773 3.511 20 50 FHGDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000825076608 607883405 /nfs/dbraw/zinc/88/34/05/607883405.db2.gz WTTHFOLKCASMGM-VMOJBDSFSA-N -1 3 372.432 3.926 20 50 FHGDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000825076608 607883406 /nfs/dbraw/zinc/88/34/06/607883406.db2.gz WTTHFOLKCASMGM-VMOJBDSFSA-N -1 3 372.432 3.926 20 50 FHGDHM N#CC(=Cc1cc(Cl)ccc1Cl)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378868 608215275 /nfs/dbraw/zinc/21/52/75/608215275.db2.gz CGBFAQGGFCRCDV-QPEQYQDCSA-N -1 3 370.199 3.963 20 50 FHGDHM N#CC(=Cc1cc(Cl)ccc1Cl)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378868 608215277 /nfs/dbraw/zinc/21/52/77/608215277.db2.gz CGBFAQGGFCRCDV-QPEQYQDCSA-N -1 3 370.199 3.963 20 50 FHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)c1ccc(F)c(Cl)c1 ZINC000826379090 608288887 /nfs/dbraw/zinc/28/88/87/608288887.db2.gz ITDHRLMRHXOUKR-XGICHPGQSA-N -1 3 371.734 3.588 20 50 FHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)c1ccc(F)c(Cl)c1 ZINC000826379090 608288888 /nfs/dbraw/zinc/28/88/88/608288888.db2.gz ITDHRLMRHXOUKR-XGICHPGQSA-N -1 3 371.734 3.588 20 50 FHGDHM CCCn1c(C)cc(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)cs2)c1C ZINC000821142685 945642425 /nfs/dbraw/zinc/64/24/25/945642425.db2.gz LEMFMATYBPZGOC-QPEQYQDCSA-N -1 3 366.450 3.546 20 50 FHGDHM CCCn1c(C)cc(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)cs2)c1C ZINC000821142685 945642434 /nfs/dbraw/zinc/64/24/34/945642434.db2.gz LEMFMATYBPZGOC-QPEQYQDCSA-N -1 3 366.450 3.546 20 50 FHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)c1nc2cc(F)ccc2s1 ZINC000822795584 946174347 /nfs/dbraw/zinc/17/43/47/946174347.db2.gz CKRCMXVMRNHSGX-VZUCSPMQSA-N -1 3 366.356 3.819 20 50 FHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)c1nc2cc(F)ccc2s1 ZINC000822795584 946174355 /nfs/dbraw/zinc/17/43/55/946174355.db2.gz CKRCMXVMRNHSGX-VZUCSPMQSA-N -1 3 366.356 3.819 20 50 FHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)c1ccc(Cl)s1 ZINC000826378935 948172147 /nfs/dbraw/zinc/17/21/47/948172147.db2.gz FGBAPVOJVSVKRL-YHYXMXQVSA-N -1 3 359.773 3.511 20 50 FHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)c1ccc(Cl)s1 ZINC000826378935 948172152 /nfs/dbraw/zinc/17/21/52/948172152.db2.gz FGBAPVOJVSVKRL-YHYXMXQVSA-N -1 3 359.773 3.511 20 50 FHGDHM CC(C)(C)[C@H]1CCCC(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824078310 607532224 /nfs/dbraw/zinc/53/22/24/607532224.db2.gz ICCPTPJXYFCBFQ-HNNXBMFYSA-N -1 3 354.458 3.579 20 50 FHGDHM CC(C)(C)[C@H]1CCCC(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824078310 607532225 /nfs/dbraw/zinc/53/22/25/607532225.db2.gz ICCPTPJXYFCBFQ-HNNXBMFYSA-N -1 3 354.458 3.579 20 50 FHGDHM N#CC(=Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379377 608217610 /nfs/dbraw/zinc/21/76/10/608217610.db2.gz QJEPXTGMONLTAH-VGOFMYFVSA-N -1 3 369.306 3.675 20 50 FHGDHM N#CC(=Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379377 608217612 /nfs/dbraw/zinc/21/76/12/608217612.db2.gz QJEPXTGMONLTAH-VGOFMYFVSA-N -1 3 369.306 3.675 20 50 FHGDHM N#CC(=Cc1ccc(C#N)o1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822795678 946176856 /nfs/dbraw/zinc/17/68/56/946176856.db2.gz FRQMRNJENWVGHN-NTUHNPAUSA-N -1 3 371.385 3.519 20 50 FHGDHM N#CC(=Cc1ccc(C#N)o1)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000822795678 946176864 /nfs/dbraw/zinc/17/68/64/946176864.db2.gz FRQMRNJENWVGHN-NTUHNPAUSA-N -1 3 371.385 3.519 20 50 FHGDHM CC(C)(C)[C@@H]1CCCC(=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824079244 607531979 /nfs/dbraw/zinc/53/19/79/607531979.db2.gz NNBZBGLEGAIWCL-OAHLLOKOSA-N -1 3 354.458 3.579 20 50 FHGDHM CC(C)(C)[C@@H]1CCCC(=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824079244 607531981 /nfs/dbraw/zinc/53/19/81/607531981.db2.gz NNBZBGLEGAIWCL-OAHLLOKOSA-N -1 3 354.458 3.579 20 50 FHGDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000825076604 607883324 /nfs/dbraw/zinc/88/33/24/607883324.db2.gz WTTHFOLKCASMGM-MTOJCTJASA-N -1 3 372.432 3.926 20 50 FHGDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000825076604 607883325 /nfs/dbraw/zinc/88/33/25/607883325.db2.gz WTTHFOLKCASMGM-MTOJCTJASA-N -1 3 372.432 3.926 20 50 FHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000826379369 607884947 /nfs/dbraw/zinc/88/49/47/607884947.db2.gz QBWUDYLTOWGKDL-LFYBBSHMSA-N -1 3 370.199 3.963 20 50 FHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000826379369 607884948 /nfs/dbraw/zinc/88/49/48/607884948.db2.gz QBWUDYLTOWGKDL-LFYBBSHMSA-N -1 3 370.199 3.963 20 50 FHGDHM CCCCOc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825290704 608213376 /nfs/dbraw/zinc/21/33/76/608213376.db2.gz FXYKCHMAAXGYKD-PDGQHHTCSA-N -1 3 373.416 3.835 20 50 FHGDHM CCCCOc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825290704 608213377 /nfs/dbraw/zinc/21/33/77/608213377.db2.gz FXYKCHMAAXGYKD-PDGQHHTCSA-N -1 3 373.416 3.835 20 50 FHGDHM N#CC(=Cc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378777 608219051 /nfs/dbraw/zinc/21/90/51/608219051.db2.gz AAFDPCRFAJVKHV-PQMHYQBVSA-N -1 3 370.199 3.963 20 50 FHGDHM N#CC(=Cc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378777 608219053 /nfs/dbraw/zinc/21/90/53/608219053.db2.gz AAFDPCRFAJVKHV-PQMHYQBVSA-N -1 3 370.199 3.963 20 50 FHGDHM N#CC(=Cc1ccccc1C(F)(F)F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379375 608219295 /nfs/dbraw/zinc/21/92/95/608219295.db2.gz QIQHRWPYOFPEOC-ZSOIEALJSA-N -1 3 369.306 3.675 20 50 FHGDHM N#CC(=Cc1ccccc1C(F)(F)F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379375 608219297 /nfs/dbraw/zinc/21/92/97/608219297.db2.gz QIQHRWPYOFPEOC-ZSOIEALJSA-N -1 3 369.306 3.675 20 50 FHGDHM CCCCCC[C@H]1CCCC1=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736448392 944825382 /nfs/dbraw/zinc/82/53/82/944825382.db2.gz XYWQLUOGJUTKLG-AWEZNQCLSA-N -1 3 354.458 3.723 20 50 FHGDHM CCCCCC[C@H]1CCCC1=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736448392 944825387 /nfs/dbraw/zinc/82/53/87/944825387.db2.gz XYWQLUOGJUTKLG-AWEZNQCLSA-N -1 3 354.458 3.723 20 50 FHGDHM CCCc1ccc(C(=O)C(C#N)=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000736496881 944835828 /nfs/dbraw/zinc/83/58/28/944835828.db2.gz KNCQHYVMVSRCEB-BOPFTXTBSA-N -1 3 373.416 3.618 20 50 FHGDHM CCCc1ccc(C(=O)C(C#N)=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000736496881 944835835 /nfs/dbraw/zinc/83/58/35/944835835.db2.gz KNCQHYVMVSRCEB-BOPFTXTBSA-N -1 3 373.416 3.618 20 50 FHGDHM C[C@H]1CC(=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H](c2ccccc2)C1 ZINC000820641202 945503512 /nfs/dbraw/zinc/50/35/12/945503512.db2.gz AWJTXRWABTVGQK-KDOFPFPSSA-N -1 3 374.448 3.556 20 50 FHGDHM C[C@H]1CC(=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H](c2ccccc2)C1 ZINC000820641202 945503517 /nfs/dbraw/zinc/50/35/17/945503517.db2.gz AWJTXRWABTVGQK-KDOFPFPSSA-N -1 3 374.448 3.556 20 50 FHGDHM CCCc1ccc(C(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821138920 945640264 /nfs/dbraw/zinc/64/02/64/945640264.db2.gz KOZIGLJUZZRVEM-YVLHZVERSA-N -1 3 361.380 3.748 20 50 FHGDHM CCCc1ccc(C(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821138920 945640270 /nfs/dbraw/zinc/64/02/70/945640270.db2.gz KOZIGLJUZZRVEM-YVLHZVERSA-N -1 3 361.380 3.748 20 50 FHGDHM CCCn1c(C)cc(C(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)s2)c1C ZINC000821142067 945640979 /nfs/dbraw/zinc/64/09/79/945640979.db2.gz CUKPDSHHFGPXTD-LCYFTJDESA-N -1 3 366.450 3.546 20 50 FHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(-c2ccccc2)cc1 ZINC000823280954 599551494 /nfs/dbraw/zinc/55/14/94/599551494.db2.gz JSZQZUHSYOPUSY-UHFFFAOYSA-N -1 3 371.404 3.682 20 50 FHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(-c2ccccc2)cc1 ZINC000823280954 599551495 /nfs/dbraw/zinc/55/14/95/599551495.db2.gz JSZQZUHSYOPUSY-UHFFFAOYSA-N -1 3 371.404 3.682 20 50 FHGDHM N#CC(=Cc1csc2ccccc12)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379726 608215770 /nfs/dbraw/zinc/21/57/70/608215770.db2.gz ZSXZJSUSCQDYJR-ZROIWOOFSA-N -1 3 357.398 3.871 20 50 FHGDHM N#CC(=Cc1csc2ccccc12)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379726 608215772 /nfs/dbraw/zinc/21/57/72/608215772.db2.gz ZSXZJSUSCQDYJR-ZROIWOOFSA-N -1 3 357.398 3.871 20 50 FHGDHM N#CC(=Cc1cc2ccccc2s1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378833 608217087 /nfs/dbraw/zinc/21/70/87/608217087.db2.gz BJAVUXQQURJZKJ-XNTDXEJSSA-N -1 3 357.398 3.871 20 50 FHGDHM N#CC(=Cc1cc2ccccc2s1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378833 608217089 /nfs/dbraw/zinc/21/70/89/608217089.db2.gz BJAVUXQQURJZKJ-XNTDXEJSSA-N -1 3 357.398 3.871 20 50 FHGDHM COc1ccc(C=C(C#N)c2nc(C(C)C)cs2)cc1-c1nnn[n-]1 ZINC000821786521 945865895 /nfs/dbraw/zinc/86/58/95/945865895.db2.gz FERKNDYJYWVCBW-SDQBBNPISA-N -1 3 352.423 3.519 20 50 FHGDHM COc1ccc(C=C(C#N)c2nc(C(C)C)cs2)cc1-c1nn[n-]n1 ZINC000821786521 945865906 /nfs/dbraw/zinc/86/59/06/945865906.db2.gz FERKNDYJYWVCBW-SDQBBNPISA-N -1 3 352.423 3.519 20 50 FHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)c1c(Cl)cccc1Cl ZINC000826379224 948172300 /nfs/dbraw/zinc/17/23/00/948172300.db2.gz MNGCKYQKJNAVSV-DHZHZOJOSA-N -1 3 370.199 3.963 20 50 FHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)c1c(Cl)cccc1Cl ZINC000826379224 948172304 /nfs/dbraw/zinc/17/23/04/948172304.db2.gz MNGCKYQKJNAVSV-DHZHZOJOSA-N -1 3 370.199 3.963 20 50 FHGDHM CCCc1ccc(C(=O)C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000825348565 607915452 /nfs/dbraw/zinc/91/54/52/607915452.db2.gz QFMPPWHZBWIXQN-MHWRWJLKSA-N -1 3 361.380 3.748 20 50 FHGDHM CCCc1ccc(C(=O)C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000825348565 607915453 /nfs/dbraw/zinc/91/54/53/607915453.db2.gz QFMPPWHZBWIXQN-MHWRWJLKSA-N -1 3 361.380 3.748 20 50 FHGDHM N#CC(=Cc1cc2ccccc2s1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378832 608217346 /nfs/dbraw/zinc/21/73/46/608217346.db2.gz BJAVUXQQURJZKJ-GDNBJRDFSA-N -1 3 357.398 3.871 20 50 FHGDHM N#CC(=Cc1cc2ccccc2s1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378832 608217347 /nfs/dbraw/zinc/21/73/47/608217347.db2.gz BJAVUXQQURJZKJ-GDNBJRDFSA-N -1 3 357.398 3.871 20 50 FHGDHM Cc1ncccc1C=C(C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737500169 945083814 /nfs/dbraw/zinc/08/38/14/945083814.db2.gz DDHPNQYBFCVBLN-CXUHLZMHSA-N -1 3 371.429 3.758 20 50 FHGDHM Cc1ncccc1C=C(C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737500169 945083823 /nfs/dbraw/zinc/08/38/23/945083823.db2.gz DDHPNQYBFCVBLN-CXUHLZMHSA-N -1 3 371.429 3.758 20 50 FHGDHM N#CC(=Cc1nccs1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737671806 945108091 /nfs/dbraw/zinc/10/80/91/945108091.db2.gz JFNRJSZSRGWTGN-KPKJPENVSA-N -1 3 363.431 3.511 20 50 FHGDHM N#CC(=Cc1nccs1)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737671806 945108097 /nfs/dbraw/zinc/10/80/97/945108097.db2.gz JFNRJSZSRGWTGN-KPKJPENVSA-N -1 3 363.431 3.511 20 50 FHGDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822009758 945918300 /nfs/dbraw/zinc/91/83/00/945918300.db2.gz DUQYYUUBDOECBC-FLIBITNWSA-N -1 3 360.402 3.508 20 50 FHGDHM Cc1ccc2c(c1)[nH]cc2C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822274825 946040456 /nfs/dbraw/zinc/04/04/56/946040456.db2.gz KEYQFJJFKJGVOG-AUWJEWJLSA-N -1 3 372.363 3.585 20 50 FHGDHM Cc1ccc2c(c1)[nH]cc2C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822274825 946040470 /nfs/dbraw/zinc/04/04/70/946040470.db2.gz KEYQFJJFKJGVOG-AUWJEWJLSA-N -1 3 372.363 3.585 20 50 FHGDHM CC(C)(C)[C@@H]1CCCC(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824078311 607531945 /nfs/dbraw/zinc/53/19/45/607531945.db2.gz ICCPTPJXYFCBFQ-OAHLLOKOSA-N -1 3 354.458 3.579 20 50 FHGDHM CC(C)(C)[C@@H]1CCCC(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824078311 607531946 /nfs/dbraw/zinc/53/19/46/607531946.db2.gz ICCPTPJXYFCBFQ-OAHLLOKOSA-N -1 3 354.458 3.579 20 50 FHGDHM CC(C)c1ccc(/C=C/CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824347538 608201996 /nfs/dbraw/zinc/20/19/96/608201996.db2.gz CGNWQRSJTAJKHY-ONEGZZNKSA-N -1 3 362.437 3.537 20 50 FHGDHM N#CC(=Cc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378778 608218766 /nfs/dbraw/zinc/21/87/66/608218766.db2.gz AAFDPCRFAJVKHV-YIXHJXPBSA-N -1 3 370.199 3.963 20 50 FHGDHM N#CC(=Cc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378778 608218767 /nfs/dbraw/zinc/21/87/67/608218767.db2.gz AAFDPCRFAJVKHV-YIXHJXPBSA-N -1 3 370.199 3.963 20 50 FHGDHM N#CC(=Cc1ccccc1C(F)(F)F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379374 608219639 /nfs/dbraw/zinc/21/96/39/608219639.db2.gz QIQHRWPYOFPEOC-RIYZIHGNSA-N -1 3 369.306 3.675 20 50 FHGDHM N#CC(=Cc1ccccc1C(F)(F)F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379374 608219640 /nfs/dbraw/zinc/21/96/40/608219640.db2.gz QIQHRWPYOFPEOC-RIYZIHGNSA-N -1 3 369.306 3.675 20 50 FHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1ccc(F)c(Cl)c1 ZINC000826379448 608288885 /nfs/dbraw/zinc/28/88/85/608288885.db2.gz RXMODYPHMZNQBZ-WEVVVXLNSA-N -1 3 359.773 3.511 20 50 FHGDHM Cc1c(NC(=O)CCCC[C@H]2CCSS2)cccc1-c1nnn[n-]1 ZINC000822068819 945962098 /nfs/dbraw/zinc/96/20/98/945962098.db2.gz VKKRWBHICYHKPJ-LBPRGKRZSA-N -1 3 363.512 3.828 20 50 FHGDHM Cc1c(NC(=O)CCCC[C@H]2CCSS2)cccc1-c1nn[n-]n1 ZINC000822068819 945962101 /nfs/dbraw/zinc/96/21/01/945962101.db2.gz VKKRWBHICYHKPJ-LBPRGKRZSA-N -1 3 363.512 3.828 20 50 FHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)Nc1cccc2ccccc21 ZINC000822796039 946179500 /nfs/dbraw/zinc/17/95/00/946179500.db2.gz KQWRGJYMILCZBL-JYRVWZFOSA-N -1 3 372.413 3.627 20 50 FHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)Nc1cccc2ccccc21 ZINC000822796039 946179508 /nfs/dbraw/zinc/17/95/08/946179508.db2.gz KQWRGJYMILCZBL-JYRVWZFOSA-N -1 3 372.413 3.627 20 50 FHGDHM CCCC[C@@H](CC)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825258868 607394122 /nfs/dbraw/zinc/39/41/22/607394122.db2.gz GJXCOHGJZSAQRX-SNVBAGLBSA-N -1 3 370.379 3.545 20 50 FHGDHM CCCC[C@@H](CC)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825258868 607394124 /nfs/dbraw/zinc/39/41/24/607394124.db2.gz GJXCOHGJZSAQRX-SNVBAGLBSA-N -1 3 370.379 3.545 20 50 FHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)c1ccc(Cl)cc1F ZINC000826379295 608288484 /nfs/dbraw/zinc/28/84/84/608288484.db2.gz ODQNEVDDUWQBRX-VZUCSPMQSA-N -1 3 371.734 3.588 20 50 FHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)c1ccc(Cl)cc1F ZINC000826379295 608288485 /nfs/dbraw/zinc/28/84/85/608288485.db2.gz ODQNEVDDUWQBRX-VZUCSPMQSA-N -1 3 371.734 3.588 20 50 FHGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1ccc(Cl)cc1F ZINC000826378839 608288589 /nfs/dbraw/zinc/28/85/89/608288589.db2.gz BMXSERHFZLAVMA-BJMVGYQFSA-N -1 3 371.734 3.588 20 50 FHGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1ccc(Cl)cc1F ZINC000826378839 608288591 /nfs/dbraw/zinc/28/85/91/608288591.db2.gz BMXSERHFZLAVMA-BJMVGYQFSA-N -1 3 371.734 3.588 20 50 FHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1-c1ccccc1 ZINC000826447974 608803309 /nfs/dbraw/zinc/80/33/09/608803309.db2.gz CNBFLRWNGBBVOH-UHFFFAOYSA-N -1 3 371.404 3.682 20 50 FHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1-c1ccccc1 ZINC000826447974 608803313 /nfs/dbraw/zinc/80/33/13/608803313.db2.gz CNBFLRWNGBBVOH-UHFFFAOYSA-N -1 3 371.404 3.682 20 50 FHGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1cc2ccccc2o1 ZINC000826379201 608877026 /nfs/dbraw/zinc/87/70/26/608877026.db2.gz LQVJYCUAFAKGGP-NTUHNPAUSA-N -1 3 359.320 3.542 20 50 FHGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1cc2ccccc2o1 ZINC000826379201 608877030 /nfs/dbraw/zinc/87/70/30/608877030.db2.gz LQVJYCUAFAKGGP-NTUHNPAUSA-N -1 3 359.320 3.542 20 50 FHGDHM Cc1c(NC(=O)CCCC[C@@H]2CCSS2)cccc1-c1nnn[n-]1 ZINC000822068818 945961239 /nfs/dbraw/zinc/96/12/39/945961239.db2.gz VKKRWBHICYHKPJ-GFCCVEGCSA-N -1 3 363.512 3.828 20 50 FHGDHM Cc1c(NC(=O)CCCC[C@@H]2CCSS2)cccc1-c1nn[n-]n1 ZINC000822068818 945961248 /nfs/dbraw/zinc/96/12/48/945961248.db2.gz VKKRWBHICYHKPJ-GFCCVEGCSA-N -1 3 363.512 3.828 20 50 FHGDHM Cc1ccc2c(C(=O)C(C#N)=Cc3cc(-c4nnn[n-]4)cs3)c[nH]c2c1 ZINC000822274562 946040860 /nfs/dbraw/zinc/04/08/60/946040860.db2.gz BECATJBXHQNLRJ-VZUCSPMQSA-N -1 3 360.402 3.508 20 50 FHGDHM Cc1ccc2c(C(=O)C(C#N)=Cc3cc(-c4nn[n-]n4)cs3)c[nH]c2c1 ZINC000822274562 946040873 /nfs/dbraw/zinc/04/08/73/946040873.db2.gz BECATJBXHQNLRJ-VZUCSPMQSA-N -1 3 360.402 3.508 20 50 FHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)c1ccc(Cl)cc1F ZINC000826379296 608288584 /nfs/dbraw/zinc/28/85/84/608288584.db2.gz ODQNEVDDUWQBRX-WZUFQYTHSA-N -1 3 371.734 3.588 20 50 FHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)c1ccc(Cl)cc1F ZINC000826379296 608288585 /nfs/dbraw/zinc/28/85/85/608288585.db2.gz ODQNEVDDUWQBRX-WZUFQYTHSA-N -1 3 371.734 3.588 20 50 FHGDHM N#CC=C(c1ccccc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826380793 608460521 /nfs/dbraw/zinc/46/05/21/608460521.db2.gz MQUVTKZNSFQWRZ-KEBDBYFISA-N -1 3 354.417 3.520 20 50 FHGDHM N#CC=C(c1ccccc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826380793 608460522 /nfs/dbraw/zinc/46/05/22/608460522.db2.gz MQUVTKZNSFQWRZ-KEBDBYFISA-N -1 3 354.417 3.520 20 50 FHGDHM N#CC=C(c1ccc(F)cc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826380995 608466786 /nfs/dbraw/zinc/46/67/86/608466786.db2.gz TXJWMWQZAOZZJY-UKWGHVSLSA-N -1 3 372.407 3.660 20 50 FHGDHM N#CC=C(c1ccc(F)cc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826380995 608466787 /nfs/dbraw/zinc/46/67/87/608466787.db2.gz TXJWMWQZAOZZJY-UKWGHVSLSA-N -1 3 372.407 3.660 20 50 FHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000737671232 945108805 /nfs/dbraw/zinc/10/88/05/945108805.db2.gz GVMVZPIXIXOPSF-NTEUORMPSA-N -1 3 369.306 3.675 20 50 FHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000737671232 945108809 /nfs/dbraw/zinc/10/88/09/945108809.db2.gz GVMVZPIXIXOPSF-NTEUORMPSA-N -1 3 369.306 3.675 20 50 FHGDHM Cc1ccc2c(C(=O)C(C#N)=Cc3ccc(-c4nnn[n-]4)s3)c[nH]c2c1 ZINC000822274607 946038616 /nfs/dbraw/zinc/03/86/16/946038616.db2.gz CMCHOCMZJFFKRF-YRNVUSSQSA-N -1 3 360.402 3.508 20 50 FHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)c1nc2ccccc2n1C(F)F ZINC000822796243 946182481 /nfs/dbraw/zinc/18/24/81/946182481.db2.gz NJPKRSKHXSBXCJ-VQHVLOKHSA-N -1 3 369.360 3.737 20 50 FHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)c1nc2cc(F)ccc2s1 ZINC000822796646 946186034 /nfs/dbraw/zinc/18/60/34/946186034.db2.gz UEJJUDVCPXNZLI-VMPITWQZSA-N -1 3 354.395 3.741 20 50 FHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)c1nc(-c2ccncc2)cs1 ZINC000822796675 946187470 /nfs/dbraw/zinc/18/74/70/946187470.db2.gz VGRRLIOCAGQPAA-WZUFQYTHSA-N -1 3 363.431 3.511 20 50 FHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)c1nc(-c2ccncc2)cs1 ZINC000822796675 946187474 /nfs/dbraw/zinc/18/74/74/946187474.db2.gz VGRRLIOCAGQPAA-WZUFQYTHSA-N -1 3 363.431 3.511 20 50 FHGDHM CC(C)c1ccc([C@H](C)CC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824347547 607726818 /nfs/dbraw/zinc/72/68/18/607726818.db2.gz CUXPOCMQIWZWJI-CQSZACIVSA-N -1 3 364.453 3.627 20 50 FHGDHM CC(C)c1ccc([C@H](C)CC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824347547 607726819 /nfs/dbraw/zinc/72/68/19/607726819.db2.gz CUXPOCMQIWZWJI-CQSZACIVSA-N -1 3 364.453 3.627 20 50 FHGDHM CC(C)c1ccc(/C=C\CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824347537 608202423 /nfs/dbraw/zinc/20/24/23/608202423.db2.gz CGNWQRSJTAJKHY-ARJAWSKDSA-N -1 3 362.437 3.537 20 50 FHGDHM CC(C)(C)c1ccc(NNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000824136713 609263353 /nfs/dbraw/zinc/26/33/53/609263353.db2.gz VJAAEKOZDDNOSR-UHFFFAOYSA-N -1 3 370.844 3.575 20 50 FHGDHM CC(C)(C)c1ccc(NNC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000824136713 609263354 /nfs/dbraw/zinc/26/33/54/609263354.db2.gz VJAAEKOZDDNOSR-UHFFFAOYSA-N -1 3 370.844 3.575 20 50 FHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)c1nc2ccccc2n1C(F)F ZINC000826379596 948174499 /nfs/dbraw/zinc/17/44/99/948174499.db2.gz WLQPRVQZSFUVMU-XFXZXTDPSA-N -1 3 363.331 3.676 20 50 FHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)c1nc2ccccc2n1C(F)F ZINC000826379596 948174505 /nfs/dbraw/zinc/17/45/05/948174505.db2.gz WLQPRVQZSFUVMU-XFXZXTDPSA-N -1 3 363.331 3.676 20 50 FHGDHM CC(C)COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824270802 608214316 /nfs/dbraw/zinc/21/43/16/608214316.db2.gz HGHWSGHFISGVBH-VCHYOVAHSA-N -1 3 373.416 3.691 20 50 FHGDHM CC(C)COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824270802 608214317 /nfs/dbraw/zinc/21/43/17/608214317.db2.gz HGHWSGHFISGVBH-VCHYOVAHSA-N -1 3 373.416 3.691 20 50 FHGDHM N#CC(=Cc1cccc(Cl)c1Cl)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378924 608217349 /nfs/dbraw/zinc/21/73/49/608217349.db2.gz DXXBNSBBTUVYHX-QPEQYQDCSA-N -1 3 370.199 3.963 20 50 FHGDHM N#CC(=Cc1cccc(Cl)c1Cl)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378924 608217350 /nfs/dbraw/zinc/21/73/50/608217350.db2.gz DXXBNSBBTUVYHX-QPEQYQDCSA-N -1 3 370.199 3.963 20 50 FHGDHM N#CC(=Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379646 608217482 /nfs/dbraw/zinc/21/74/82/608217482.db2.gz YCZUWVPUUBMQNQ-RIYZIHGNSA-N -1 3 369.306 3.675 20 50 FHGDHM N#CC(=Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379646 608217484 /nfs/dbraw/zinc/21/74/84/608217484.db2.gz YCZUWVPUUBMQNQ-RIYZIHGNSA-N -1 3 369.306 3.675 20 50 FHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1ccc(Cl)cc1F ZINC000826378920 608288662 /nfs/dbraw/zinc/28/86/62/608288662.db2.gz DUHBGYUUYSLPOP-FPYGCLRLSA-N -1 3 359.773 3.511 20 50 FHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1ccc(Cl)cc1F ZINC000826378920 608288663 /nfs/dbraw/zinc/28/86/63/608288663.db2.gz DUHBGYUUYSLPOP-FPYGCLRLSA-N -1 3 359.773 3.511 20 50 FHGDHM N#CC(=Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000737671190 945109027 /nfs/dbraw/zinc/10/90/27/945109027.db2.gz GAUUIXBGJWIALA-NTEUORMPSA-N -1 3 369.306 3.675 20 50 FHGDHM N#CC(=Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000737671190 945109037 /nfs/dbraw/zinc/10/90/37/945109037.db2.gz GAUUIXBGJWIALA-NTEUORMPSA-N -1 3 369.306 3.675 20 50 FHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)c1nc2cc(F)ccc2s1 ZINC000822795638 946175568 /nfs/dbraw/zinc/17/55/68/946175568.db2.gz DTKNYZGAKBWAFK-FPYGCLRLSA-N -1 3 354.395 3.741 20 50 FHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)c1nc2cc(F)ccc2s1 ZINC000822795638 946175573 /nfs/dbraw/zinc/17/55/73/946175573.db2.gz DTKNYZGAKBWAFK-FPYGCLRLSA-N -1 3 354.395 3.741 20 50 FHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)Nc1cccc2ccccc21 ZINC000822796040 946179556 /nfs/dbraw/zinc/17/95/56/946179556.db2.gz KQWRGJYMILCZBL-MDWZMJQESA-N -1 3 372.413 3.627 20 50 FHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)Nc1cccc2ccccc21 ZINC000822796040 946179566 /nfs/dbraw/zinc/17/95/66/946179566.db2.gz KQWRGJYMILCZBL-MDWZMJQESA-N -1 3 372.413 3.627 20 50 FHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)c1nc2ccccc2n1C(F)F ZINC000822796127 946183698 /nfs/dbraw/zinc/18/36/98/946183698.db2.gz MHKGABQPOIJEMV-UITAMQMPSA-N -1 3 369.360 3.737 20 50 FHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)c1nc2ccccc2n1C(F)F ZINC000822796127 946183701 /nfs/dbraw/zinc/18/37/01/946183701.db2.gz MHKGABQPOIJEMV-UITAMQMPSA-N -1 3 369.360 3.737 20 50 FHGDHM Cc1cc(Cl)cc(C)c1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826267494 947773291 /nfs/dbraw/zinc/77/32/91/947773291.db2.gz INULBBIJDANLCM-DHDCSXOGSA-N -1 3 363.808 3.927 20 50 FHGDHM Cc1cc(Cl)cc(C)c1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826267494 947773299 /nfs/dbraw/zinc/77/32/99/947773299.db2.gz INULBBIJDANLCM-DHDCSXOGSA-N -1 3 363.808 3.927 20 50 FHGDHM CCCc1ccc(C(=O)C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000825348566 607915529 /nfs/dbraw/zinc/91/55/29/607915529.db2.gz QFMPPWHZBWIXQN-YBEGLDIGSA-N -1 3 361.380 3.748 20 50 FHGDHM CCCc1ccc(C(=O)C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000825348566 607915530 /nfs/dbraw/zinc/91/55/30/607915530.db2.gz QFMPPWHZBWIXQN-YBEGLDIGSA-N -1 3 361.380 3.748 20 50 FHGDHM CCCCOc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825290703 608213234 /nfs/dbraw/zinc/21/32/34/608213234.db2.gz FXYKCHMAAXGYKD-LDADJPATSA-N -1 3 373.416 3.835 20 50 FHGDHM CCCCOc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825290703 608213235 /nfs/dbraw/zinc/21/32/35/608213235.db2.gz FXYKCHMAAXGYKD-LDADJPATSA-N -1 3 373.416 3.835 20 50 FHGDHM Cc1oc2ccccc2c1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826342570 608213919 /nfs/dbraw/zinc/21/39/19/608213919.db2.gz QPYLUIBNJCJWMW-GDNBJRDFSA-N -1 3 355.357 3.711 20 50 FHGDHM Cc1oc2ccccc2c1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826342570 608213920 /nfs/dbraw/zinc/21/39/20/608213920.db2.gz QPYLUIBNJCJWMW-GDNBJRDFSA-N -1 3 355.357 3.711 20 50 FHGDHM CC(C)(C)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824136234 608214442 /nfs/dbraw/zinc/21/44/42/608214442.db2.gz NDXKHMASALZQKH-GZTJUZNOSA-N -1 3 357.417 3.954 20 50 FHGDHM CC(C)(C)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824136234 608214445 /nfs/dbraw/zinc/21/44/45/608214445.db2.gz NDXKHMASALZQKH-GZTJUZNOSA-N -1 3 357.417 3.954 20 50 FHGDHM N#CC(=Cc1c(Cl)cccc1Cl)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379518 608217616 /nfs/dbraw/zinc/21/76/16/608217616.db2.gz UILMXOKCRYVJDU-XYOKQWHBSA-N -1 3 370.199 3.963 20 50 FHGDHM N#CC(=Cc1c(Cl)cccc1Cl)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379518 608217617 /nfs/dbraw/zinc/21/76/17/608217617.db2.gz UILMXOKCRYVJDU-XYOKQWHBSA-N -1 3 370.199 3.963 20 50 FHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000737671234 945109285 /nfs/dbraw/zinc/10/92/85/945109285.db2.gz GVMVZPIXIXOPSF-ZROIWOOFSA-N -1 3 369.306 3.675 20 50 FHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000737671234 945109289 /nfs/dbraw/zinc/10/92/89/945109289.db2.gz GVMVZPIXIXOPSF-ZROIWOOFSA-N -1 3 369.306 3.675 20 50 FHGDHM Cc1ccc2c(C(=O)C(C#N)=Cc3cc(-c4nnn[n-]4)cs3)c[nH]c2c1 ZINC000822274563 946039626 /nfs/dbraw/zinc/03/96/26/946039626.db2.gz BECATJBXHQNLRJ-WZUFQYTHSA-N -1 3 360.402 3.508 20 50 FHGDHM Cc1ccc2c(C(=O)C(C#N)=Cc3cc(-c4nn[n-]n4)cs3)c[nH]c2c1 ZINC000822274563 946039638 /nfs/dbraw/zinc/03/96/38/946039638.db2.gz BECATJBXHQNLRJ-WZUFQYTHSA-N -1 3 360.402 3.508 20 50 FHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)c1nc(-c2ccncc2)cs1 ZINC000822796674 946187006 /nfs/dbraw/zinc/18/70/06/946187006.db2.gz VGRRLIOCAGQPAA-VZUCSPMQSA-N -1 3 363.431 3.511 20 50 FHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)c1nc(-c2ccncc2)cs1 ZINC000822796674 946187010 /nfs/dbraw/zinc/18/70/10/946187010.db2.gz VGRRLIOCAGQPAA-VZUCSPMQSA-N -1 3 363.431 3.511 20 50 FHGDHM N#CC(=Cc1cncs1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822796766 946190312 /nfs/dbraw/zinc/19/03/12/946190312.db2.gz YBCHBCNYTQZDIS-LFYBBSHMSA-N -1 3 363.431 3.511 20 50 FHGDHM N#CC(=Cc1cncs1)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000822796766 946190319 /nfs/dbraw/zinc/19/03/19/946190319.db2.gz YBCHBCNYTQZDIS-LFYBBSHMSA-N -1 3 363.431 3.511 20 50 FHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000826379097 948171933 /nfs/dbraw/zinc/17/19/33/948171933.db2.gz IYPDZQNMFBLVRI-KPKJPENVSA-N -1 3 374.791 3.791 20 50 FHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000826379097 948171940 /nfs/dbraw/zinc/17/19/40/948171940.db2.gz IYPDZQNMFBLVRI-KPKJPENVSA-N -1 3 374.791 3.791 20 50 FHGDHM CC(C)(C)[C@H]1CCCC(=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824079243 607532125 /nfs/dbraw/zinc/53/21/25/607532125.db2.gz NNBZBGLEGAIWCL-HNNXBMFYSA-N -1 3 354.458 3.579 20 50 FHGDHM CC(C)(C)[C@H]1CCCC(=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824079243 607532127 /nfs/dbraw/zinc/53/21/27/607532127.db2.gz NNBZBGLEGAIWCL-HNNXBMFYSA-N -1 3 354.458 3.579 20 50 FHGDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000825076599 607883396 /nfs/dbraw/zinc/88/33/96/607883396.db2.gz WTTHFOLKCASMGM-IQGJIOQQSA-N -1 3 372.432 3.926 20 50 FHGDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000825076599 607883397 /nfs/dbraw/zinc/88/33/97/607883397.db2.gz WTTHFOLKCASMGM-IQGJIOQQSA-N -1 3 372.432 3.926 20 50 FHGDHM N#CC(=Cc1cc(Cl)ccc1Cl)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378867 608215204 /nfs/dbraw/zinc/21/52/04/608215204.db2.gz CGBFAQGGFCRCDV-NTUHNPAUSA-N -1 3 370.199 3.963 20 50 FHGDHM N#CC(=Cc1cc(Cl)ccc1Cl)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378867 608215206 /nfs/dbraw/zinc/21/52/06/608215206.db2.gz CGBFAQGGFCRCDV-NTUHNPAUSA-N -1 3 370.199 3.963 20 50 FHGDHM CC(C)(C)CCCC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819907763 945311539 /nfs/dbraw/zinc/31/15/39/945311539.db2.gz RNVAETOJXZDHMN-UHFFFAOYSA-N -1 3 370.379 3.545 20 50 FHGDHM CC(C)(C)CCCC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819907763 945311544 /nfs/dbraw/zinc/31/15/44/945311544.db2.gz RNVAETOJXZDHMN-UHFFFAOYSA-N -1 3 370.379 3.545 20 50 FHGDHM COc1ccc(C=C(C#N)c2nc3ccccc3s2)cc1-c1nnn[n-]1 ZINC000737077980 944948811 /nfs/dbraw/zinc/94/88/11/944948811.db2.gz XELPDWUDANLWQU-WQLSENKSSA-N -1 3 360.402 3.549 20 50 FHGDHM COc1ccc(C=C(C#N)c2nc3ccccc3s2)cc1-c1nn[n-]n1 ZINC000737077980 944948816 /nfs/dbraw/zinc/94/88/16/944948816.db2.gz XELPDWUDANLWQU-WQLSENKSSA-N -1 3 360.402 3.549 20 50 FHGDHM Cc1ccc2c(C(=O)C(C#N)=Cc3ccc(-c4nnn[n-]4)s3)c[nH]c2c1 ZINC000822274606 946039816 /nfs/dbraw/zinc/03/98/16/946039816.db2.gz CMCHOCMZJFFKRF-XFFZJAGNSA-N -1 3 360.402 3.508 20 50 FHGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc2cccnc12 ZINC000826266458 947771117 /nfs/dbraw/zinc/77/11/17/947771117.db2.gz PJLGVIOUMGSNRN-VCHYOVAHSA-N -1 3 366.384 3.513 20 50 FHGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc2cccnc12 ZINC000826266458 947771124 /nfs/dbraw/zinc/77/11/24/947771124.db2.gz PJLGVIOUMGSNRN-VCHYOVAHSA-N -1 3 366.384 3.513 20 50 FHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)Nc1cccc2ccccc21 ZINC000826378976 607883582 /nfs/dbraw/zinc/88/35/82/607883582.db2.gz GFBXJPHPLNRNPT-FOWTUZBSSA-N -1 3 366.384 3.566 20 50 FHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)Nc1cccc2ccccc21 ZINC000826378976 607883583 /nfs/dbraw/zinc/88/35/83/607883583.db2.gz GFBXJPHPLNRNPT-FOWTUZBSSA-N -1 3 366.384 3.566 20 50 FHGDHM Cc1oc2ccccc2c1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826342571 608213616 /nfs/dbraw/zinc/21/36/16/608213616.db2.gz QPYLUIBNJCJWMW-XNTDXEJSSA-N -1 3 355.357 3.711 20 50 FHGDHM Cc1oc2ccccc2c1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826342571 608213617 /nfs/dbraw/zinc/21/36/17/608213617.db2.gz QPYLUIBNJCJWMW-XNTDXEJSSA-N -1 3 355.357 3.711 20 50 FHGDHM N#CC(=Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378889 608217361 /nfs/dbraw/zinc/21/73/61/608217361.db2.gz CUECGXNNJCMJPM-MLPAPPSSSA-N -1 3 370.199 3.963 20 50 FHGDHM N#CC(=Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378889 608217362 /nfs/dbraw/zinc/21/73/62/608217362.db2.gz CUECGXNNJCMJPM-MLPAPPSSSA-N -1 3 370.199 3.963 20 50 FHGDHM N#CC(=Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379647 608217514 /nfs/dbraw/zinc/21/75/14/608217514.db2.gz YCZUWVPUUBMQNQ-ZSOIEALJSA-N -1 3 369.306 3.675 20 50 FHGDHM N#CC(=Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379647 608217515 /nfs/dbraw/zinc/21/75/15/608217515.db2.gz YCZUWVPUUBMQNQ-ZSOIEALJSA-N -1 3 369.306 3.675 20 50 FHGDHM Cc1ccc2c(c1)[nH]cc2C(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826293342 608876997 /nfs/dbraw/zinc/87/69/97/608876997.db2.gz LRMJVBQTKOPJIP-NTUHNPAUSA-N -1 3 372.363 3.585 20 50 FHGDHM Cc1ccc2c(c1)[nH]cc2C(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826293342 608877001 /nfs/dbraw/zinc/87/70/01/608877001.db2.gz LRMJVBQTKOPJIP-NTUHNPAUSA-N -1 3 372.363 3.585 20 50 FHGDHM C[C@@H]1CC(=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H](c2ccccc2)C1 ZINC000820641204 945503552 /nfs/dbraw/zinc/50/35/52/945503552.db2.gz AWJTXRWABTVGQK-KSSFIOAISA-N -1 3 374.448 3.556 20 50 FHGDHM C[C@@H]1CC(=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H](c2ccccc2)C1 ZINC000820641204 945503558 /nfs/dbraw/zinc/50/35/58/945503558.db2.gz AWJTXRWABTVGQK-KSSFIOAISA-N -1 3 374.448 3.556 20 50 FHGDHM Cc1cc(Cl)cc(C)c1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826267495 947772825 /nfs/dbraw/zinc/77/28/25/947772825.db2.gz INULBBIJDANLCM-OQLLNIDSSA-N -1 3 363.808 3.927 20 50 FHGDHM Cc1cc(Cl)cc(C)c1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826267495 947772834 /nfs/dbraw/zinc/77/28/34/947772834.db2.gz INULBBIJDANLCM-OQLLNIDSSA-N -1 3 363.808 3.927 20 50 FHGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(C2CCCCC2)cc1 ZINC000826447000 607351143 /nfs/dbraw/zinc/35/11/43/607351143.db2.gz IWOONOKNLZKVHY-UHFFFAOYSA-N -1 3 362.437 3.671 20 50 FHGDHM CCc1oc2ccccc2c1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825776932 608214706 /nfs/dbraw/zinc/21/47/06/608214706.db2.gz NVEIYHQUILNKIW-PTNGSMBKSA-N -1 3 369.384 3.965 20 50 FHGDHM CCc1oc2ccccc2c1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825776932 608214708 /nfs/dbraw/zinc/21/47/08/608214708.db2.gz NVEIYHQUILNKIW-PTNGSMBKSA-N -1 3 369.384 3.965 20 50 FHGDHM N#CC(=Cc1csc2ccccc12)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379725 608216074 /nfs/dbraw/zinc/21/60/74/608216074.db2.gz ZSXZJSUSCQDYJR-NTEUORMPSA-N -1 3 357.398 3.871 20 50 FHGDHM N#CC(=Cc1csc2ccccc12)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379725 608216076 /nfs/dbraw/zinc/21/60/76/608216076.db2.gz ZSXZJSUSCQDYJR-NTEUORMPSA-N -1 3 357.398 3.871 20 50 FHGDHM CCc1cccc2c(C=C(C#N)C(=O)c3cccc(-c4nnn[n-]4)c3)c[nH]c21 ZINC000825722016 608216745 /nfs/dbraw/zinc/21/67/45/608216745.db2.gz CIMNVQYNYXNJQG-YBEGLDIGSA-N -1 3 368.400 3.700 20 50 FHGDHM CCc1cccc2c(C=C(C#N)C(=O)c3cccc(-c4nn[n-]n4)c3)c[nH]c21 ZINC000825722016 608216746 /nfs/dbraw/zinc/21/67/46/608216746.db2.gz CIMNVQYNYXNJQG-YBEGLDIGSA-N -1 3 368.400 3.700 20 50 FHGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1ccc(F)c(Cl)c1 ZINC000826378799 608288144 /nfs/dbraw/zinc/28/81/44/608288144.db2.gz AQZHFFKKBMZFDU-VZUCSPMQSA-N -1 3 371.734 3.588 20 50 FHGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1ccc(F)c(Cl)c1 ZINC000826378799 608288145 /nfs/dbraw/zinc/28/81/45/608288145.db2.gz AQZHFFKKBMZFDU-VZUCSPMQSA-N -1 3 371.734 3.588 20 50 FHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)c1ccc(F)c(Cl)c1 ZINC000826379089 608288440 /nfs/dbraw/zinc/28/84/40/608288440.db2.gz ITDHRLMRHXOUKR-LFYBBSHMSA-N -1 3 371.734 3.588 20 50 FHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)c1ccc(F)c(Cl)c1 ZINC000826379089 608288442 /nfs/dbraw/zinc/28/84/42/608288442.db2.gz ITDHRLMRHXOUKR-LFYBBSHMSA-N -1 3 371.734 3.588 20 50 FHGDHM N#CC=C(c1ccccc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826380792 608460731 /nfs/dbraw/zinc/46/07/31/608460731.db2.gz MQUVTKZNSFQWRZ-JMIUGGIZSA-N -1 3 354.417 3.520 20 50 FHGDHM N#CC=C(c1ccccc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826380792 608460732 /nfs/dbraw/zinc/46/07/32/608460732.db2.gz MQUVTKZNSFQWRZ-JMIUGGIZSA-N -1 3 354.417 3.520 20 50 FHGDHM O=C(CCCC[C@H]1CCSS1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737825121 945132892 /nfs/dbraw/zinc/13/28/92/945132892.db2.gz LCQMNYYUCFGKET-NSHDSACASA-N -1 3 367.475 3.658 20 50 FHGDHM O=C(CCCC[C@H]1CCSS1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737825121 945132895 /nfs/dbraw/zinc/13/28/95/945132895.db2.gz LCQMNYYUCFGKET-NSHDSACASA-N -1 3 367.475 3.658 20 50 FHGDHM CC(C)C(=O)C(C#N)=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735683854 944689829 /nfs/dbraw/zinc/68/98/29/944689829.db2.gz GGEUCCTWXLSVCC-YVLHZVERSA-N -1 3 373.416 3.578 20 50 FHGDHM CC(C)C(=O)C(C#N)=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735683854 944689836 /nfs/dbraw/zinc/68/98/36/944689836.db2.gz GGEUCCTWXLSVCC-YVLHZVERSA-N -1 3 373.416 3.578 20 50 FHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)c1cc2ccccc2o1 ZINC000822795747 946177704 /nfs/dbraw/zinc/17/77/04/946177704.db2.gz GLCOVPCQNPGLTP-VGOFMYFVSA-N -1 3 359.320 3.542 20 50 FHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)c1cc2ccccc2o1 ZINC000822795747 946177710 /nfs/dbraw/zinc/17/77/10/946177710.db2.gz GLCOVPCQNPGLTP-VGOFMYFVSA-N -1 3 359.320 3.542 20 50 FHGDHM N#CC(=Cc1cncs1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822796767 946190289 /nfs/dbraw/zinc/19/02/89/946190289.db2.gz YBCHBCNYTQZDIS-XGICHPGQSA-N -1 3 363.431 3.511 20 50 FHGDHM N#CC(=Cc1cncs1)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000822796767 946190298 /nfs/dbraw/zinc/19/02/98/946190298.db2.gz YBCHBCNYTQZDIS-XGICHPGQSA-N -1 3 363.431 3.511 20 50 FHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1ccc(F)c(Cl)c1 ZINC000826378963 608288452 /nfs/dbraw/zinc/28/84/52/608288452.db2.gz FXDNXOBNTNIAEZ-YCRREMRBSA-N -1 3 359.773 3.511 20 50 FHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1ccc(F)c(Cl)c1 ZINC000826378963 608288453 /nfs/dbraw/zinc/28/84/53/608288453.db2.gz FXDNXOBNTNIAEZ-YCRREMRBSA-N -1 3 359.773 3.511 20 50 FHGDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826233833 608877067 /nfs/dbraw/zinc/87/70/67/608877067.db2.gz XFZWIRBPUTVJEY-MDWZMJQESA-N -1 3 372.363 3.585 20 50 FHGDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826233833 608877068 /nfs/dbraw/zinc/87/70/68/608877068.db2.gz XFZWIRBPUTVJEY-MDWZMJQESA-N -1 3 372.363 3.585 20 50 FHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)c1ccc(Cl)s1 ZINC000826378934 948172402 /nfs/dbraw/zinc/17/24/02/948172402.db2.gz FGBAPVOJVSVKRL-BJMVGYQFSA-N -1 3 359.773 3.511 20 50 FHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)c1ccc(Cl)s1 ZINC000826378934 948172405 /nfs/dbraw/zinc/17/24/05/948172405.db2.gz FGBAPVOJVSVKRL-BJMVGYQFSA-N -1 3 359.773 3.511 20 50 FHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(C2CCCCC2)cc1 ZINC000826448779 607728871 /nfs/dbraw/zinc/72/88/71/607728871.db2.gz LHYKSHTZIRLRTI-UHFFFAOYSA-N -1 3 362.437 3.671 20 50 FHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(C2CCCCC2)cc1 ZINC000826448779 607728873 /nfs/dbraw/zinc/72/88/73/607728873.db2.gz LHYKSHTZIRLRTI-UHFFFAOYSA-N -1 3 362.437 3.671 20 50 FHGDHM CCc1cccc(CC)c1NC(=O)C(C#N)=Cc1ccccc1-c1nnn[n-]1 ZINC000825722891 607883486 /nfs/dbraw/zinc/88/34/86/607883486.db2.gz NJHVRQJKBLSKTK-SFQUDFHCSA-N -1 3 372.432 3.537 20 50 FHGDHM CCc1cccc(CC)c1NC(=O)C(C#N)=Cc1ccccc1-c1nn[n-]n1 ZINC000825722891 607883487 /nfs/dbraw/zinc/88/34/87/607883487.db2.gz NJHVRQJKBLSKTK-SFQUDFHCSA-N -1 3 372.432 3.537 20 50 FHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1ccc(Cl)cc1F ZINC000826379056 608288742 /nfs/dbraw/zinc/28/87/42/608288742.db2.gz HZDYZXVVWZXGHN-YVMONPNESA-N -1 3 359.773 3.511 20 50 FHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1ccc(F)c(Cl)c1 ZINC000826378962 608288786 /nfs/dbraw/zinc/28/87/86/608288786.db2.gz FXDNXOBNTNIAEZ-OQFOIZHKSA-N -1 3 359.773 3.511 20 50 FHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1ccc(F)c(Cl)c1 ZINC000826378962 608288788 /nfs/dbraw/zinc/28/87/88/608288788.db2.gz FXDNXOBNTNIAEZ-OQFOIZHKSA-N -1 3 359.773 3.511 20 50 FHGDHM CCC(CC)(CC)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820882637 945584025 /nfs/dbraw/zinc/58/40/25/945584025.db2.gz WHLQGNGYOKTLEP-UHFFFAOYSA-N -1 3 370.379 3.545 20 50 FHGDHM CCC(CC)(CC)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820882637 945584031 /nfs/dbraw/zinc/58/40/31/945584031.db2.gz WHLQGNGYOKTLEP-UHFFFAOYSA-N -1 3 370.379 3.545 20 50 FHGDHM Cc1ccc2c(c1)[nH]cc2C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822274826 946040727 /nfs/dbraw/zinc/04/07/27/946040727.db2.gz KEYQFJJFKJGVOG-VGOFMYFVSA-N -1 3 372.363 3.585 20 50 FHGDHM Cc1ccc2c(c1)[nH]cc2C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822274826 946040739 /nfs/dbraw/zinc/04/07/39/946040739.db2.gz KEYQFJJFKJGVOG-VGOFMYFVSA-N -1 3 372.363 3.585 20 50 FHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)Nc1cccc2ccccc21 ZINC000822796479 946185587 /nfs/dbraw/zinc/18/55/87/946185587.db2.gz SIDYNOXQCDKDAS-RAXLEYEMSA-N -1 3 372.413 3.627 20 50 FHGDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000825076606 607883471 /nfs/dbraw/zinc/88/34/71/607883471.db2.gz WTTHFOLKCASMGM-RFRKOGIWSA-N -1 3 372.432 3.926 20 50 FHGDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000825076606 607883472 /nfs/dbraw/zinc/88/34/72/607883472.db2.gz WTTHFOLKCASMGM-RFRKOGIWSA-N -1 3 372.432 3.926 20 50 FHGDHM CC(C)c1ccc(/C=C\CC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824347988 608202467 /nfs/dbraw/zinc/20/24/67/608202467.db2.gz VPJVHKRVOOQLEA-HYXAFXHYSA-N -1 3 362.437 3.537 20 50 FHGDHM CC(C)c1ccc(/C=C\CC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824347988 608202468 /nfs/dbraw/zinc/20/24/68/608202468.db2.gz VPJVHKRVOOQLEA-HYXAFXHYSA-N -1 3 362.437 3.537 20 50 FHGDHM N#CC(=Cc1cccc2ccccc12)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379380 608213900 /nfs/dbraw/zinc/21/39/00/608213900.db2.gz QKHHZCQIGUSFOZ-WOJGMQOQSA-N -1 3 351.369 3.810 20 50 FHGDHM N#CC(=Cc1cccc2ccccc12)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379380 608213901 /nfs/dbraw/zinc/21/39/01/608213901.db2.gz QKHHZCQIGUSFOZ-WOJGMQOQSA-N -1 3 351.369 3.810 20 50 FHGDHM N#CC(=Cc1ccc(Cl)cc1Cl)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379148 608215593 /nfs/dbraw/zinc/21/55/93/608215593.db2.gz KDEHFNNSMMSGQC-MLPAPPSSSA-N -1 3 370.199 3.963 20 50 FHGDHM N#CC(=Cc1ccc(Cl)cc1Cl)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379148 608215594 /nfs/dbraw/zinc/21/55/94/608215594.db2.gz KDEHFNNSMMSGQC-MLPAPPSSSA-N -1 3 370.199 3.963 20 50 FHGDHM CCc1cccc2c(C=C(C#N)C(=O)c3cccc(-c4nnn[n-]4)c3)c[nH]c21 ZINC000825722014 608216438 /nfs/dbraw/zinc/21/64/38/608216438.db2.gz CIMNVQYNYXNJQG-MHWRWJLKSA-N -1 3 368.400 3.700 20 50 FHGDHM CCc1cccc2c(C=C(C#N)C(=O)c3cccc(-c4nn[n-]n4)c3)c[nH]c21 ZINC000825722014 608216440 /nfs/dbraw/zinc/21/64/40/608216440.db2.gz CIMNVQYNYXNJQG-MHWRWJLKSA-N -1 3 368.400 3.700 20 50 FHGDHM CCCc1ccc(C(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821138919 945640383 /nfs/dbraw/zinc/64/03/83/945640383.db2.gz KOZIGLJUZZRVEM-LICLKQGHSA-N -1 3 361.380 3.748 20 50 FHGDHM CCCc1ccc(C(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821138919 945640387 /nfs/dbraw/zinc/64/03/87/945640387.db2.gz KOZIGLJUZZRVEM-LICLKQGHSA-N -1 3 361.380 3.748 20 50 FHGDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822010186 945920784 /nfs/dbraw/zinc/92/07/84/945920784.db2.gz RLDAISDROGAWSZ-IZZDOVSWSA-N -1 3 360.402 3.508 20 50 FHGDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822010186 945920791 /nfs/dbraw/zinc/92/07/91/945920791.db2.gz RLDAISDROGAWSZ-IZZDOVSWSA-N -1 3 360.402 3.508 20 50 FHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)c1nc2cc(F)ccc2s1 ZINC000822796647 946185822 /nfs/dbraw/zinc/18/58/22/946185822.db2.gz UEJJUDVCPXNZLI-YVMONPNESA-N -1 3 354.395 3.741 20 50 FHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)c1nc2ccccc2n1C(F)F ZINC000826379595 948173829 /nfs/dbraw/zinc/17/38/29/948173829.db2.gz WLQPRVQZSFUVMU-FMIVXFBMSA-N -1 3 363.331 3.676 20 50 FHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)c1nc2ccccc2n1C(F)F ZINC000826379595 948173832 /nfs/dbraw/zinc/17/38/32/948173832.db2.gz WLQPRVQZSFUVMU-FMIVXFBMSA-N -1 3 363.331 3.676 20 50 FHGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1cc2ccccc2o1 ZINC000826379202 608876799 /nfs/dbraw/zinc/87/67/99/608876799.db2.gz LQVJYCUAFAKGGP-QPEQYQDCSA-N -1 3 359.320 3.542 20 50 FHGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1cc2ccccc2o1 ZINC000826379202 608876802 /nfs/dbraw/zinc/87/68/02/608876802.db2.gz LQVJYCUAFAKGGP-QPEQYQDCSA-N -1 3 359.320 3.542 20 50 FHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)c1nc(-c2ccncc2)cs1 ZINC000822796683 946187496 /nfs/dbraw/zinc/18/74/96/946187496.db2.gz VRHIQLWICBZTLQ-XFFZJAGNSA-N -1 3 363.431 3.511 20 50 FHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000826379528 607884905 /nfs/dbraw/zinc/88/49/05/607884905.db2.gz UOXDKFWUGWZXLH-UKTHLTGXSA-N -1 3 369.306 3.675 20 50 FHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000826379528 607884906 /nfs/dbraw/zinc/88/49/06/607884906.db2.gz UOXDKFWUGWZXLH-UKTHLTGXSA-N -1 3 369.306 3.675 20 50 FHGDHM CC(C)COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824270803 608214331 /nfs/dbraw/zinc/21/43/31/608214331.db2.gz HGHWSGHFISGVBH-ZDLGFXPLSA-N -1 3 373.416 3.691 20 50 FHGDHM CC(C)COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824270803 608214332 /nfs/dbraw/zinc/21/43/32/608214332.db2.gz HGHWSGHFISGVBH-ZDLGFXPLSA-N -1 3 373.416 3.691 20 50 FHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1ccc(Cl)cc1F ZINC000826379055 608288855 /nfs/dbraw/zinc/28/88/55/608288855.db2.gz HZDYZXVVWZXGHN-VMPITWQZSA-N -1 3 359.773 3.511 20 50 FHGDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826233832 608877531 /nfs/dbraw/zinc/87/75/31/608877531.db2.gz XFZWIRBPUTVJEY-JYRVWZFOSA-N -1 3 372.363 3.585 20 50 FHGDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826233832 608877532 /nfs/dbraw/zinc/87/75/32/608877532.db2.gz XFZWIRBPUTVJEY-JYRVWZFOSA-N -1 3 372.363 3.585 20 50 FHGDHM N#CC(=Cc1nccs1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737671801 945107959 /nfs/dbraw/zinc/10/79/59/945107959.db2.gz JFNRJSZSRGWTGN-GHXNOFRVSA-N -1 3 363.431 3.511 20 50 FHGDHM N#CC(=Cc1nccs1)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737671801 945107969 /nfs/dbraw/zinc/10/79/69/945107969.db2.gz JFNRJSZSRGWTGN-GHXNOFRVSA-N -1 3 363.431 3.511 20 50 FHGDHM N#CC(=Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000737671191 945109078 /nfs/dbraw/zinc/10/90/78/945109078.db2.gz GAUUIXBGJWIALA-ZROIWOOFSA-N -1 3 369.306 3.675 20 50 FHGDHM N#CC(=Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000737671191 945109087 /nfs/dbraw/zinc/10/90/87/945109087.db2.gz GAUUIXBGJWIALA-ZROIWOOFSA-N -1 3 369.306 3.675 20 50 FHGDHM CCCC[C@H](CC)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825258867 607394405 /nfs/dbraw/zinc/39/44/05/607394405.db2.gz GJXCOHGJZSAQRX-JTQLQIEISA-N -1 3 370.379 3.545 20 50 FHGDHM CCCC[C@H](CC)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825258867 607394407 /nfs/dbraw/zinc/39/44/07/607394407.db2.gz GJXCOHGJZSAQRX-JTQLQIEISA-N -1 3 370.379 3.545 20 50 FHGDHM N#CC(=Cc1cccc2ccccc12)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379381 608213661 /nfs/dbraw/zinc/21/36/61/608213661.db2.gz QKHHZCQIGUSFOZ-WQRHYEAKSA-N -1 3 351.369 3.810 20 50 FHGDHM N#CC(=Cc1cccc2ccccc12)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379381 608213662 /nfs/dbraw/zinc/21/36/62/608213662.db2.gz QKHHZCQIGUSFOZ-WQRHYEAKSA-N -1 3 351.369 3.810 20 50 FHGDHM N#CC(=Cc1ccc(Cl)cc1Cl)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379147 608215590 /nfs/dbraw/zinc/21/55/90/608215590.db2.gz KDEHFNNSMMSGQC-AWNIVKPZSA-N -1 3 370.199 3.963 20 50 FHGDHM N#CC(=Cc1ccc(Cl)cc1Cl)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379147 608215591 /nfs/dbraw/zinc/21/55/91/608215591.db2.gz KDEHFNNSMMSGQC-AWNIVKPZSA-N -1 3 370.199 3.963 20 50 FHGDHM N#CC(=Cc1cccc(Cl)c1Cl)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378923 608217115 /nfs/dbraw/zinc/21/71/15/608217115.db2.gz DXXBNSBBTUVYHX-NTUHNPAUSA-N -1 3 370.199 3.963 20 50 FHGDHM N#CC(=Cc1cccc(Cl)c1Cl)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378923 608217116 /nfs/dbraw/zinc/21/71/16/608217116.db2.gz DXXBNSBBTUVYHX-NTUHNPAUSA-N -1 3 370.199 3.963 20 50 FHGDHM O=C(NN=C1CCCC[C@H](c2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444405 608229641 /nfs/dbraw/zinc/22/96/41/608229641.db2.gz FGJWADAYTREQQB-INIZCTEOSA-N -1 3 374.448 3.700 20 50 FHGDHM O=C(NN=C1CCCC[C@H](c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444405 608229643 /nfs/dbraw/zinc/22/96/43/608229643.db2.gz FGJWADAYTREQQB-INIZCTEOSA-N -1 3 374.448 3.700 20 50 FHGDHM CCCCCC[C@@H]1CCCC1=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736448393 944826649 /nfs/dbraw/zinc/82/66/49/944826649.db2.gz XYWQLUOGJUTKLG-CQSZACIVSA-N -1 3 354.458 3.723 20 50 FHGDHM CCCCCC[C@@H]1CCCC1=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736448393 944826658 /nfs/dbraw/zinc/82/66/58/944826658.db2.gz XYWQLUOGJUTKLG-CQSZACIVSA-N -1 3 354.458 3.723 20 50 FHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000826379096 948172179 /nfs/dbraw/zinc/17/21/79/948172179.db2.gz IYPDZQNMFBLVRI-GHXNOFRVSA-N -1 3 374.791 3.791 20 50 FHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000826379096 948172185 /nfs/dbraw/zinc/17/21/85/948172185.db2.gz IYPDZQNMFBLVRI-GHXNOFRVSA-N -1 3 374.791 3.791 20 50 FHGDHM N#CC(=Cc1cc2cc(F)ccc2o1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379101 608219346 /nfs/dbraw/zinc/21/93/46/608219346.db2.gz JAQNSAHNOBARER-ZROIWOOFSA-N -1 3 359.320 3.542 20 50 FHGDHM N#CC(=Cc1cc2cc(F)ccc2o1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379101 608219347 /nfs/dbraw/zinc/21/93/47/608219347.db2.gz JAQNSAHNOBARER-ZROIWOOFSA-N -1 3 359.320 3.542 20 50 FHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1ccc(Cl)cc1F ZINC000826378919 608288826 /nfs/dbraw/zinc/28/88/26/608288826.db2.gz DUHBGYUUYSLPOP-BAQGIRSFSA-N -1 3 359.773 3.511 20 50 FHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1ccc(Cl)cc1F ZINC000826378919 608288829 /nfs/dbraw/zinc/28/88/29/608288829.db2.gz DUHBGYUUYSLPOP-BAQGIRSFSA-N -1 3 359.773 3.511 20 50 FHGDHM CC(C)C(=O)C(C#N)=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735683853 944689233 /nfs/dbraw/zinc/68/92/33/944689233.db2.gz GGEUCCTWXLSVCC-LICLKQGHSA-N -1 3 373.416 3.578 20 50 FHGDHM CC(C)C(=O)C(C#N)=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735683853 944689238 /nfs/dbraw/zinc/68/92/38/944689238.db2.gz GGEUCCTWXLSVCC-LICLKQGHSA-N -1 3 373.416 3.578 20 50 FHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)c1cc2ccccc2o1 ZINC000822795741 946178144 /nfs/dbraw/zinc/17/81/44/946178144.db2.gz GLCOVPCQNPGLTP-AUWJEWJLSA-N -1 3 359.320 3.542 20 50 FHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)c1cc2ccccc2o1 ZINC000822795741 946178165 /nfs/dbraw/zinc/17/81/65/946178165.db2.gz GLCOVPCQNPGLTP-AUWJEWJLSA-N -1 3 359.320 3.542 20 50 FHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)c1nc2ccccc2n1C(F)F ZINC000822796131 946183540 /nfs/dbraw/zinc/18/35/40/946183540.db2.gz MHKGABQPOIJEMV-WEVVVXLNSA-N -1 3 369.360 3.737 20 50 FHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)c1nc2ccccc2n1C(F)F ZINC000822796131 946183549 /nfs/dbraw/zinc/18/35/49/946183549.db2.gz MHKGABQPOIJEMV-WEVVVXLNSA-N -1 3 369.360 3.737 20 50 FHGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1ccc(Cl)s1 ZINC000826379553 948174031 /nfs/dbraw/zinc/17/40/31/948174031.db2.gz VIVKMYWFBNKNOL-WEVVVXLNSA-N -1 3 359.773 3.511 20 50 FHGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1ccc(Cl)s1 ZINC000826379553 948174035 /nfs/dbraw/zinc/17/40/35/948174035.db2.gz VIVKMYWFBNKNOL-WEVVVXLNSA-N -1 3 359.773 3.511 20 50 FHGDHM N#CC(=Cc1cc2cc(F)ccc2o1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379100 608219586 /nfs/dbraw/zinc/21/95/86/608219586.db2.gz JAQNSAHNOBARER-NTEUORMPSA-N -1 3 359.320 3.542 20 50 FHGDHM N#CC(=Cc1cc2cc(F)ccc2o1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379100 608219588 /nfs/dbraw/zinc/21/95/88/608219588.db2.gz JAQNSAHNOBARER-NTEUORMPSA-N -1 3 359.320 3.542 20 50 FHGDHM CC(C)Sc1ccccc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824338290 608816037 /nfs/dbraw/zinc/81/60/37/608816037.db2.gz WRLXUSSCCHSKBR-UHFFFAOYSA-N -1 3 369.454 3.516 20 50 FHGDHM CC(C)Sc1ccccc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824338290 608816038 /nfs/dbraw/zinc/81/60/38/608816038.db2.gz WRLXUSSCCHSKBR-UHFFFAOYSA-N -1 3 369.454 3.516 20 50 FHGDHM CCCn1c(C)cc(C(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)s2)c1C ZINC000821142069 945640532 /nfs/dbraw/zinc/64/05/32/945640532.db2.gz CUKPDSHHFGPXTD-UKTHLTGXSA-N -1 3 366.450 3.546 20 50 FHGDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822009893 945917251 /nfs/dbraw/zinc/91/72/51/945917251.db2.gz GTIOCTSJUXGLHV-RIYZIHGNSA-N -1 3 372.363 3.585 20 50 FHGDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822009893 945917258 /nfs/dbraw/zinc/91/72/58/945917258.db2.gz GTIOCTSJUXGLHV-RIYZIHGNSA-N -1 3 372.363 3.585 20 50 FHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)c1nc2ccccc2n1C(F)F ZINC000822796242 946182065 /nfs/dbraw/zinc/18/20/65/946182065.db2.gz NJPKRSKHXSBXCJ-CLFYSBASSA-N -1 3 369.360 3.737 20 50 FHGDHM CC(C)c1ccc([C@@H](C)CC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824347546 607727239 /nfs/dbraw/zinc/72/72/39/607727239.db2.gz CUXPOCMQIWZWJI-AWEZNQCLSA-N -1 3 364.453 3.627 20 50 FHGDHM CC(C)c1ccc([C@@H](C)CC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824347546 607727241 /nfs/dbraw/zinc/72/72/41/607727241.db2.gz CUXPOCMQIWZWJI-AWEZNQCLSA-N -1 3 364.453 3.627 20 50 FHGDHM CCCC(CCC)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825241813 607807036 /nfs/dbraw/zinc/80/70/36/607807036.db2.gz AIZNDXHUYLMHDB-UHFFFAOYSA-N -1 3 370.379 3.545 20 50 FHGDHM CCCC(CCC)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825241813 607807037 /nfs/dbraw/zinc/80/70/37/607807037.db2.gz AIZNDXHUYLMHDB-UHFFFAOYSA-N -1 3 370.379 3.545 20 50 FHGDHM CCc1cccc(CC)c1NC(=O)C(C#N)=Cc1ccccc1-c1nnn[n-]1 ZINC000825722883 607883339 /nfs/dbraw/zinc/88/33/39/607883339.db2.gz NJHVRQJKBLSKTK-ATVHPVEESA-N -1 3 372.432 3.537 20 50 FHGDHM CCc1cccc(CC)c1NC(=O)C(C#N)=Cc1ccccc1-c1nn[n-]n1 ZINC000825722883 607883340 /nfs/dbraw/zinc/88/33/40/607883340.db2.gz NJHVRQJKBLSKTK-ATVHPVEESA-N -1 3 372.432 3.537 20 50 FHGDHM CC(C)c1ccc(/C=C/CC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824347987 608202034 /nfs/dbraw/zinc/20/20/34/608202034.db2.gz VPJVHKRVOOQLEA-HWKANZROSA-N -1 3 362.437 3.537 20 50 FHGDHM CC(C)c1ccc(/C=C/CC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824347987 608202036 /nfs/dbraw/zinc/20/20/36/608202036.db2.gz VPJVHKRVOOQLEA-HWKANZROSA-N -1 3 362.437 3.537 20 50 FHGDHM N#CC(=Cc1ccc(-c2ccccc2)o1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379293 608215854 /nfs/dbraw/zinc/21/58/54/608215854.db2.gz OCENJCISVFHWLY-ATVHPVEESA-N -1 3 367.368 3.917 20 50 FHGDHM N#CC(=Cc1ccc(-c2ccccc2)o1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379293 608215856 /nfs/dbraw/zinc/21/58/56/608215856.db2.gz OCENJCISVFHWLY-ATVHPVEESA-N -1 3 367.368 3.917 20 50 FHGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1ccc(F)c(Cl)c1 ZINC000826378800 608287956 /nfs/dbraw/zinc/28/79/56/608287956.db2.gz AQZHFFKKBMZFDU-WZUFQYTHSA-N -1 3 371.734 3.588 20 50 FHGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1ccc(F)c(Cl)c1 ZINC000826378800 608287958 /nfs/dbraw/zinc/28/79/58/608287958.db2.gz AQZHFFKKBMZFDU-WZUFQYTHSA-N -1 3 371.734 3.588 20 50 FHGDHM C[C@H]1CC(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H](c2ccccc2)C1 ZINC000820643390 945505525 /nfs/dbraw/zinc/50/55/25/945505525.db2.gz VQFTUWZHOPDSKI-KDOFPFPSSA-N -1 3 374.448 3.556 20 50 FHGDHM C[C@H]1CC(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H](c2ccccc2)C1 ZINC000820643390 945505531 /nfs/dbraw/zinc/50/55/31/945505531.db2.gz VQFTUWZHOPDSKI-KDOFPFPSSA-N -1 3 374.448 3.556 20 50 FHGDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822009894 945918254 /nfs/dbraw/zinc/91/82/54/945918254.db2.gz GTIOCTSJUXGLHV-ZSOIEALJSA-N -1 3 372.363 3.585 20 50 FHGDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822009894 945918262 /nfs/dbraw/zinc/91/82/62/945918262.db2.gz GTIOCTSJUXGLHV-ZSOIEALJSA-N -1 3 372.363 3.585 20 50 FHGDHM Cc1ccoc1C=C(C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822378902 946076422 /nfs/dbraw/zinc/07/64/22/946076422.db2.gz HFDOULXWQMKZIY-ZSOIEALJSA-N -1 3 360.402 3.956 20 50 FHGDHM Cc1ccoc1C=C(C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000822378902 946076434 /nfs/dbraw/zinc/07/64/34/946076434.db2.gz HFDOULXWQMKZIY-ZSOIEALJSA-N -1 3 360.402 3.956 20 50 FHGDHM N#CC(=Cc1ccc(-c2ccccc2)o1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379294 608216129 /nfs/dbraw/zinc/21/61/29/608216129.db2.gz OCENJCISVFHWLY-SFQUDFHCSA-N -1 3 367.368 3.917 20 50 FHGDHM N#CC(=Cc1ccc(-c2ccccc2)o1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379294 608216130 /nfs/dbraw/zinc/21/61/30/608216130.db2.gz OCENJCISVFHWLY-SFQUDFHCSA-N -1 3 367.368 3.917 20 50 FHGDHM CCCc1ccc(C(=O)C(C#N)=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000736496882 944834661 /nfs/dbraw/zinc/83/46/61/944834661.db2.gz KNCQHYVMVSRCEB-GZTJUZNOSA-N -1 3 373.416 3.618 20 50 FHGDHM CCCc1ccc(C(=O)C(C#N)=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000736496882 944834673 /nfs/dbraw/zinc/83/46/73/944834673.db2.gz KNCQHYVMVSRCEB-GZTJUZNOSA-N -1 3 373.416 3.618 20 50 FHGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(-c2ccccc2)cc1 ZINC000826446306 607672609 /nfs/dbraw/zinc/67/26/09/607672609.db2.gz GZRXDXVZJNYIEP-UHFFFAOYSA-N -1 3 371.404 3.682 20 50 FHGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1nc2cc(F)ccc2s1 ZINC000826379220 608880526 /nfs/dbraw/zinc/88/05/26/608880526.db2.gz MJRHDSYJKPCOKQ-YHYXMXQVSA-N -1 3 366.356 3.819 20 50 FHGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1nc2cc(F)ccc2s1 ZINC000826379220 608880529 /nfs/dbraw/zinc/88/05/29/608880529.db2.gz MJRHDSYJKPCOKQ-YHYXMXQVSA-N -1 3 366.356 3.819 20 50 FHGDHM C[C@@H]1CC(=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H](c2ccccc2)C1 ZINC000820641199 945504422 /nfs/dbraw/zinc/50/44/22/945504422.db2.gz AWJTXRWABTVGQK-KBXCAEBGSA-N -1 3 374.448 3.556 20 50 FHGDHM C[C@@H]1CC(=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H](c2ccccc2)C1 ZINC000820641199 945504433 /nfs/dbraw/zinc/50/44/33/945504433.db2.gz AWJTXRWABTVGQK-KBXCAEBGSA-N -1 3 374.448 3.556 20 50 FHGDHM C[C@H]1CC(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H](c2ccccc2)C1 ZINC000820643392 945506081 /nfs/dbraw/zinc/50/60/81/945506081.db2.gz VQFTUWZHOPDSKI-RDTXWAMCSA-N -1 3 374.448 3.556 20 50 FHGDHM C[C@H]1CC(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H](c2ccccc2)C1 ZINC000820643392 945506085 /nfs/dbraw/zinc/50/60/85/945506085.db2.gz VQFTUWZHOPDSKI-RDTXWAMCSA-N -1 3 374.448 3.556 20 50 FHGDHM CCCn1c(C)cc(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)cs2)c1C ZINC000821142684 945642182 /nfs/dbraw/zinc/64/21/82/945642182.db2.gz LEMFMATYBPZGOC-NTUHNPAUSA-N -1 3 366.450 3.546 20 50 FHGDHM CCCn1c(C)cc(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)cs2)c1C ZINC000821142684 945642186 /nfs/dbraw/zinc/64/21/86/945642186.db2.gz LEMFMATYBPZGOC-NTUHNPAUSA-N -1 3 366.450 3.546 20 50 FHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)c1nc2cc(F)ccc2s1 ZINC000822795592 946174716 /nfs/dbraw/zinc/17/47/16/946174716.db2.gz CKRCMXVMRNHSGX-WZUFQYTHSA-N -1 3 366.356 3.819 20 50 FHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)c1nc2cc(F)ccc2s1 ZINC000822795592 946174720 /nfs/dbraw/zinc/17/47/20/946174720.db2.gz CKRCMXVMRNHSGX-WZUFQYTHSA-N -1 3 366.356 3.819 20 50 FHGDHM CC(C)(C)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824136233 608214483 /nfs/dbraw/zinc/21/44/83/608214483.db2.gz NDXKHMASALZQKH-BOPFTXTBSA-N -1 3 357.417 3.954 20 50 FHGDHM CC(C)(C)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824136233 608214484 /nfs/dbraw/zinc/21/44/84/608214484.db2.gz NDXKHMASALZQKH-BOPFTXTBSA-N -1 3 357.417 3.954 20 50 FHGDHM O=C(CCCC[C@@H]1CCSS1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737825120 945132579 /nfs/dbraw/zinc/13/25/79/945132579.db2.gz LCQMNYYUCFGKET-LLVKDONJSA-N -1 3 367.475 3.658 20 50 FHGDHM O=C(CCCC[C@@H]1CCSS1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737825120 945132582 /nfs/dbraw/zinc/13/25/82/945132582.db2.gz LCQMNYYUCFGKET-LLVKDONJSA-N -1 3 367.475 3.658 20 50 FHGDHM COc1ccc(C=C(C#N)c2nc3ccccc3s2)cc1-c1nnn[n-]1 ZINC000737077981 944949264 /nfs/dbraw/zinc/94/92/64/944949264.db2.gz XELPDWUDANLWQU-XYOKQWHBSA-N -1 3 360.402 3.549 20 50 FHGDHM COc1ccc(C=C(C#N)c2nc3ccccc3s2)cc1-c1nn[n-]n1 ZINC000737077981 944949269 /nfs/dbraw/zinc/94/92/69/944949269.db2.gz XELPDWUDANLWQU-XYOKQWHBSA-N -1 3 360.402 3.549 20 50 FHGDHM C[C@H]1CC(=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H](c2ccccc2)C1 ZINC000820641206 945503599 /nfs/dbraw/zinc/50/35/99/945503599.db2.gz AWJTXRWABTVGQK-RDTXWAMCSA-N -1 3 374.448 3.556 20 50 FHGDHM C[C@H]1CC(=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H](c2ccccc2)C1 ZINC000820641206 945503602 /nfs/dbraw/zinc/50/36/02/945503602.db2.gz AWJTXRWABTVGQK-RDTXWAMCSA-N -1 3 374.448 3.556 20 50 FHGDHM C[C@@H]1CC(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H](c2ccccc2)C1 ZINC000820643389 945506063 /nfs/dbraw/zinc/50/60/63/945506063.db2.gz VQFTUWZHOPDSKI-KBXCAEBGSA-N -1 3 374.448 3.556 20 50 FHGDHM C[C@@H]1CC(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H](c2ccccc2)C1 ZINC000820643389 945506070 /nfs/dbraw/zinc/50/60/70/945506070.db2.gz VQFTUWZHOPDSKI-KBXCAEBGSA-N -1 3 374.448 3.556 20 50 FHGDHM Cc1ccoc1C=C(C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822378900 946076184 /nfs/dbraw/zinc/07/61/84/946076184.db2.gz HFDOULXWQMKZIY-RIYZIHGNSA-N -1 3 360.402 3.956 20 50 FHGDHM Cc1ccoc1C=C(C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000822378900 946076197 /nfs/dbraw/zinc/07/61/97/946076197.db2.gz HFDOULXWQMKZIY-RIYZIHGNSA-N -1 3 360.402 3.956 20 50 FHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)c1c(Cl)cccc1Cl ZINC000826379225 948172505 /nfs/dbraw/zinc/17/25/05/948172505.db2.gz MNGCKYQKJNAVSV-FLIBITNWSA-N -1 3 370.199 3.963 20 50 FHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)c1c(Cl)cccc1Cl ZINC000826379225 948172510 /nfs/dbraw/zinc/17/25/10/948172510.db2.gz MNGCKYQKJNAVSV-FLIBITNWSA-N -1 3 370.199 3.963 20 50 FHGDHM CCc1oc2ccccc2c1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825776933 608214716 /nfs/dbraw/zinc/21/47/16/608214716.db2.gz NVEIYHQUILNKIW-RVDMUPIBSA-N -1 3 369.384 3.965 20 50 FHGDHM CCc1oc2ccccc2c1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825776933 608214718 /nfs/dbraw/zinc/21/47/18/608214718.db2.gz NVEIYHQUILNKIW-RVDMUPIBSA-N -1 3 369.384 3.965 20 50 FHGDHM CCN(CC)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825418215 608215979 /nfs/dbraw/zinc/21/59/79/608215979.db2.gz YUVPKJPQRZCOAS-LDADJPATSA-N -1 3 372.432 3.503 20 50 FHGDHM CCN(CC)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825418215 608215981 /nfs/dbraw/zinc/21/59/81/608215981.db2.gz YUVPKJPQRZCOAS-LDADJPATSA-N -1 3 372.432 3.503 20 50 FHGDHM N#CC(=Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379376 608217788 /nfs/dbraw/zinc/21/77/88/608217788.db2.gz QJEPXTGMONLTAH-AUWJEWJLSA-N -1 3 369.306 3.675 20 50 FHGDHM N#CC(=Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379376 608217790 /nfs/dbraw/zinc/21/77/90/608217790.db2.gz QJEPXTGMONLTAH-AUWJEWJLSA-N -1 3 369.306 3.675 20 50 FHGDHM O=C(NN=C1CCCC[C@@H](c2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444820 608229555 /nfs/dbraw/zinc/22/95/55/608229555.db2.gz VZEBZCYWZKCHML-GOSISDBHSA-N -1 3 374.448 3.700 20 50 FHGDHM O=C(NN=C1CCCC[C@@H](c2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444820 608229557 /nfs/dbraw/zinc/22/95/57/608229557.db2.gz VZEBZCYWZKCHML-GOSISDBHSA-N -1 3 374.448 3.700 20 50 FHGDHM N#CC=C(c1ccc(F)cc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826380994 608466495 /nfs/dbraw/zinc/46/64/95/608466495.db2.gz TXJWMWQZAOZZJY-AWQFTUOYSA-N -1 3 372.407 3.660 20 50 FHGDHM N#CC=C(c1ccc(F)cc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826380994 608466497 /nfs/dbraw/zinc/46/64/97/608466497.db2.gz TXJWMWQZAOZZJY-AWQFTUOYSA-N -1 3 372.407 3.660 20 50 FHGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1nc2cc(F)ccc2s1 ZINC000826379219 608880131 /nfs/dbraw/zinc/88/01/31/608880131.db2.gz MJRHDSYJKPCOKQ-BJMVGYQFSA-N -1 3 366.356 3.819 20 50 FHGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1nc2cc(F)ccc2s1 ZINC000826379219 608880132 /nfs/dbraw/zinc/88/01/32/608880132.db2.gz MJRHDSYJKPCOKQ-BJMVGYQFSA-N -1 3 366.356 3.819 20 50 FHGDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822010187 945921057 /nfs/dbraw/zinc/92/10/57/945921057.db2.gz RLDAISDROGAWSZ-WDZFZDKYSA-N -1 3 360.402 3.508 20 50 FHGDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822010187 945921066 /nfs/dbraw/zinc/92/10/66/945921066.db2.gz RLDAISDROGAWSZ-WDZFZDKYSA-N -1 3 360.402 3.508 20 50 FHGDHM N#CC(=Cc1c(Cl)cccc1Cl)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379517 608217509 /nfs/dbraw/zinc/21/75/09/608217509.db2.gz UILMXOKCRYVJDU-WQLSENKSSA-N -1 3 370.199 3.963 20 50 FHGDHM N#CC(=Cc1c(Cl)cccc1Cl)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379517 608217511 /nfs/dbraw/zinc/21/75/11/608217511.db2.gz UILMXOKCRYVJDU-WQLSENKSSA-N -1 3 370.199 3.963 20 50 FHGDHM O=C(NN=C1CCCC[C@@H](c2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444406 608229462 /nfs/dbraw/zinc/22/94/62/608229462.db2.gz FGJWADAYTREQQB-MRXNPFEDSA-N -1 3 374.448 3.700 20 50 FHGDHM O=C(NN=C1CCCC[C@@H](c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444406 608229463 /nfs/dbraw/zinc/22/94/63/608229463.db2.gz FGJWADAYTREQQB-MRXNPFEDSA-N -1 3 374.448 3.700 20 50 FHGDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822009754 945917436 /nfs/dbraw/zinc/91/74/36/945917436.db2.gz DUQYYUUBDOECBC-DHZHZOJOSA-N -1 3 360.402 3.508 20 50 FHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)c1nc2cc(F)ccc2s1 ZINC000822795637 946174053 /nfs/dbraw/zinc/17/40/53/946174053.db2.gz DTKNYZGAKBWAFK-BAQGIRSFSA-N -1 3 354.395 3.741 20 50 FHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)c1nc2cc(F)ccc2s1 ZINC000822795637 946174060 /nfs/dbraw/zinc/17/40/60/946174060.db2.gz DTKNYZGAKBWAFK-BAQGIRSFSA-N -1 3 354.395 3.741 20 50 FHGDHM N#CC(=Cc1ccc(C#N)o1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822795680 946177252 /nfs/dbraw/zinc/17/72/52/946177252.db2.gz FRQMRNJENWVGHN-QPEQYQDCSA-N -1 3 371.385 3.519 20 50 FHGDHM N#CC(=Cc1ccc(C#N)o1)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000822795680 946177259 /nfs/dbraw/zinc/17/72/59/946177259.db2.gz FRQMRNJENWVGHN-QPEQYQDCSA-N -1 3 371.385 3.519 20 50 FHGDHM CCCCCC[C@@H]1CCCC1=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736444534 944824041 /nfs/dbraw/zinc/82/40/41/944824041.db2.gz GWIWXKQHDHMRKK-CQSZACIVSA-N -1 3 354.458 3.723 20 50 FHGDHM CCCCCC[C@@H]1CCCC1=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736444534 944824044 /nfs/dbraw/zinc/82/40/44/944824044.db2.gz GWIWXKQHDHMRKK-CQSZACIVSA-N -1 3 354.458 3.723 20 50 FHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)Nc1cccc2ccccc21 ZINC000822796478 946185041 /nfs/dbraw/zinc/18/50/41/946185041.db2.gz SIDYNOXQCDKDAS-JLHYYAGUSA-N -1 3 372.413 3.627 20 50 FHGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc2cccnc12 ZINC000826266459 947771086 /nfs/dbraw/zinc/77/10/86/947771086.db2.gz PJLGVIOUMGSNRN-ZDLGFXPLSA-N -1 3 366.384 3.513 20 50 FHGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc2cccnc12 ZINC000826266459 947771095 /nfs/dbraw/zinc/77/10/95/947771095.db2.gz PJLGVIOUMGSNRN-ZDLGFXPLSA-N -1 3 366.384 3.513 20 50 FHGDHM CCN(CC)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825418216 608216693 /nfs/dbraw/zinc/21/66/93/608216693.db2.gz YUVPKJPQRZCOAS-PDGQHHTCSA-N -1 3 372.432 3.503 20 50 FHGDHM CCN(CC)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825418216 608216695 /nfs/dbraw/zinc/21/66/95/608216695.db2.gz YUVPKJPQRZCOAS-PDGQHHTCSA-N -1 3 372.432 3.503 20 50 FHGDHM N#CC(=Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378888 608217032 /nfs/dbraw/zinc/21/70/32/608217032.db2.gz CUECGXNNJCMJPM-AWNIVKPZSA-N -1 3 370.199 3.963 20 50 FHGDHM N#CC(=Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378888 608217034 /nfs/dbraw/zinc/21/70/34/608217034.db2.gz CUECGXNNJCMJPM-AWNIVKPZSA-N -1 3 370.199 3.963 20 50 FHGDHM O=C(NN=C1CCCC[C@H](c2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444821 608229836 /nfs/dbraw/zinc/22/98/36/608229836.db2.gz VZEBZCYWZKCHML-SFHVURJKSA-N -1 3 374.448 3.700 20 50 FHGDHM O=C(NN=C1CCCC[C@H](c2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444821 608229837 /nfs/dbraw/zinc/22/98/37/608229837.db2.gz VZEBZCYWZKCHML-SFHVURJKSA-N -1 3 374.448 3.700 20 50 FHGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1ccc(Cl)cc1F ZINC000826378840 608288613 /nfs/dbraw/zinc/28/86/13/608288613.db2.gz BMXSERHFZLAVMA-YHYXMXQVSA-N -1 3 371.734 3.588 20 50 FHGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1ccc(Cl)cc1F ZINC000826378840 608288615 /nfs/dbraw/zinc/28/86/15/608288615.db2.gz BMXSERHFZLAVMA-YHYXMXQVSA-N -1 3 371.734 3.588 20 50 FHGDHM Cc1ncccc1C=C(C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737500170 945083297 /nfs/dbraw/zinc/08/32/97/945083297.db2.gz DDHPNQYBFCVBLN-SXGWCWSVSA-N -1 3 371.429 3.758 20 50 FHGDHM Cc1ncccc1C=C(C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737500170 945083305 /nfs/dbraw/zinc/08/33/05/945083305.db2.gz DDHPNQYBFCVBLN-SXGWCWSVSA-N -1 3 371.429 3.758 20 50 FHGDHM CCCCCC[C@H]1CCCC1=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736444531 944822831 /nfs/dbraw/zinc/82/28/31/944822831.db2.gz GWIWXKQHDHMRKK-AWEZNQCLSA-N -1 3 354.458 3.723 20 50 FHGDHM CCCCCC[C@H]1CCCC1=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736444531 944822833 /nfs/dbraw/zinc/82/28/33/944822833.db2.gz GWIWXKQHDHMRKK-AWEZNQCLSA-N -1 3 354.458 3.723 20 50 FHGDHM COc1ccc(C=C(C#N)c2nc(C(C)C)cs2)cc1-c1nnn[n-]1 ZINC000821786524 945866546 /nfs/dbraw/zinc/86/65/46/945866546.db2.gz FERKNDYJYWVCBW-WUXMJOGZSA-N -1 3 352.423 3.519 20 50 FHGDHM COc1ccc(C=C(C#N)c2nc(C(C)C)cs2)cc1-c1nn[n-]n1 ZINC000821786524 945866558 /nfs/dbraw/zinc/86/65/58/945866558.db2.gz FERKNDYJYWVCBW-WUXMJOGZSA-N -1 3 352.423 3.519 20 50 FHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000826379527 607884700 /nfs/dbraw/zinc/88/47/00/607884700.db2.gz UOXDKFWUGWZXLH-LCYFTJDESA-N -1 3 369.306 3.675 20 50 FHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000826379527 607884701 /nfs/dbraw/zinc/88/47/01/607884701.db2.gz UOXDKFWUGWZXLH-LCYFTJDESA-N -1 3 369.306 3.675 20 50 FHGDHM N#CC(=Cc1ccc2ccccc2c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379582 608217532 /nfs/dbraw/zinc/21/75/32/608217532.db2.gz VZTMRVXAUCTBAM-ODLFYWEKSA-N -1 3 351.369 3.810 20 50 FHGDHM N#CC(=Cc1ccc2ccccc2c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379582 608217534 /nfs/dbraw/zinc/21/75/34/608217534.db2.gz VZTMRVXAUCTBAM-ODLFYWEKSA-N -1 3 351.369 3.810 20 50 FHGDHM N#CC(=Cc1ccc2ccccc2c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379583 608217778 /nfs/dbraw/zinc/21/77/78/608217778.db2.gz VZTMRVXAUCTBAM-YBFXNURJSA-N -1 3 351.369 3.810 20 50 FHGDHM N#CC(=Cc1ccc2ccccc2c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379583 608217780 /nfs/dbraw/zinc/21/77/80/608217780.db2.gz VZTMRVXAUCTBAM-YBFXNURJSA-N -1 3 351.369 3.810 20 50 FHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1ccc(F)c(Cl)c1 ZINC000826379447 608288626 /nfs/dbraw/zinc/28/86/26/608288626.db2.gz RXMODYPHMZNQBZ-UITAMQMPSA-N -1 3 359.773 3.511 20 50 FHGDHM C[C@@H]1CC(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H](c2ccccc2)C1 ZINC000820643391 945506196 /nfs/dbraw/zinc/50/61/96/945506196.db2.gz VQFTUWZHOPDSKI-KSSFIOAISA-N -1 3 374.448 3.556 20 50 FHGDHM C[C@@H]1CC(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H](c2ccccc2)C1 ZINC000820643391 945506202 /nfs/dbraw/zinc/50/62/02/945506202.db2.gz VQFTUWZHOPDSKI-KSSFIOAISA-N -1 3 374.448 3.556 20 50 FHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)c1nc(-c2ccncc2)cs1 ZINC000822796684 946187971 /nfs/dbraw/zinc/18/79/71/946187971.db2.gz VRHIQLWICBZTLQ-YRNVUSSQSA-N -1 3 363.431 3.511 20 50 FHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)Nc1cccc2ccccc21 ZINC000826378977 607883618 /nfs/dbraw/zinc/88/36/18/607883618.db2.gz GFBXJPHPLNRNPT-VBKFSLOCSA-N -1 3 366.384 3.566 20 50 FHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)Nc1cccc2ccccc21 ZINC000826378977 607883619 /nfs/dbraw/zinc/88/36/19/607883619.db2.gz GFBXJPHPLNRNPT-VBKFSLOCSA-N -1 3 366.384 3.566 20 50 FHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000826379370 607884748 /nfs/dbraw/zinc/88/47/48/607884748.db2.gz QBWUDYLTOWGKDL-XGICHPGQSA-N -1 3 370.199 3.963 20 50 FHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000826379370 607884749 /nfs/dbraw/zinc/88/47/49/607884749.db2.gz QBWUDYLTOWGKDL-XGICHPGQSA-N -1 3 370.199 3.963 20 50 FHGDHM Cc1ccc2c(c1)[nH]cc2C(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826293343 608877505 /nfs/dbraw/zinc/87/75/05/608877505.db2.gz LRMJVBQTKOPJIP-QPEQYQDCSA-N -1 3 372.363 3.585 20 50 FHGDHM Cc1ccc2c(c1)[nH]cc2C(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826293343 608877506 /nfs/dbraw/zinc/87/75/06/608877506.db2.gz LRMJVBQTKOPJIP-QPEQYQDCSA-N -1 3 372.363 3.585 20 50 FHGDHM