smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000738050902 945178593 /nfs/dbraw/zinc/17/85/93/945178593.db2.gz IPAXEQBZDVTHJA-KBPBESRZSA-N 1 0 358.406 0.356 20 50 FCGDRO O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000738137199 945241821 /nfs/dbraw/zinc/24/18/21/945241821.db2.gz RYHLQVFSTPKNPD-GFCCVEGCSA-N 1 0 356.390 0.047 20 50 FCGDRO C[C@@H](CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[N@H+](C)C1CC1 ZINC000736017591 944732527 /nfs/dbraw/zinc/73/25/27/944732527.db2.gz QSXMYDGXFPIKIK-JTQLQIEISA-N 1 0 358.406 0.293 20 50 FCGDRO CC1CC[NH+](CCNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736274621 944783427 /nfs/dbraw/zinc/78/34/27/944783427.db2.gz AQGRQUNBYMABLY-UHFFFAOYSA-N 1 0 372.433 0.543 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc(-c2nn[nH]n2)n1C ZINC000737211761 944989269 /nfs/dbraw/zinc/98/92/69/944989269.db2.gz FNHJJXBJDWEBRP-SVSAJMPUSA-N 1 0 354.418 0.583 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213745 945006575 /nfs/dbraw/zinc/00/65/75/945006575.db2.gz WRYOQOWDMLIDHZ-FEZXJWFHSA-N 1 0 368.445 0.831 20 50 FCGDRO C[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1C1CC1 ZINC000820656730 945511982 /nfs/dbraw/zinc/51/19/82/945511982.db2.gz GYCBOGYNSZQMEI-MFKMUULPSA-N 1 0 370.417 0.436 20 50 FCGDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820752282 945547623 /nfs/dbraw/zinc/54/76/23/945547623.db2.gz LNRYYBSYJIKBLQ-HZMBPMFUSA-N 1 0 370.417 0.293 20 50 FCGDRO C[C@@H](C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)NN=Cc1ccc(-c2nn[nH]n2)o1 ZINC000820751270 945549324 /nfs/dbraw/zinc/54/93/24/945549324.db2.gz FIXZCJJWMLJTLF-SDDRHHMPSA-N 1 0 361.406 0.655 20 50 FCGDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821255217 945660984 /nfs/dbraw/zinc/66/09/84/945660984.db2.gz WNKRZRIGZMDHRQ-CQSZACIVSA-N 1 0 372.433 0.637 20 50 FCGDRO O=C(C[N@@H+]1CCC[C@H]1C1CCC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410321 607922773 /nfs/dbraw/zinc/92/27/73/607922773.db2.gz JYFQQEPUEXVXIK-HNNXBMFYSA-N 1 0 369.429 0.892 20 50 FCGDRO CC[N@@H+]1C[C@H](C)N(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000825445231 608236676 /nfs/dbraw/zinc/23/66/76/608236676.db2.gz YAEXSIKAIUYCEA-NEPJUHHUSA-N 1 0 372.433 0.636 20 50 FCGDRO C[C@H]1C[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1C ZINC000824957669 608377387 /nfs/dbraw/zinc/37/73/87/608377387.db2.gz YRUOLGPIUACFEE-RYUDHWBXSA-N 1 0 357.418 0.606 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N(C)CCC[NH+](C)C)cc(-c2nn[nH]n2)n1C ZINC000826236144 608592700 /nfs/dbraw/zinc/59/27/00/608592700.db2.gz ZOYLISHIINZDGU-NTEUORMPSA-N 1 0 356.434 0.831 20 50 FCGDRO C[C@H](NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1=CC[N@H+](C)CC1 ZINC000824498167 609316654 /nfs/dbraw/zinc/31/66/54/609316654.db2.gz CMVQLPQMFSUDEL-NSHDSACASA-N 1 0 370.417 0.461 20 50 FCGDRO C=CC[NH+]1CCC(NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735426215 944649912 /nfs/dbraw/zinc/64/99/12/944649912.db2.gz LYYZXWLUWFPRDT-UHFFFAOYSA-N 1 0 370.417 0.461 20 50 FCGDRO C[C@H](C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000736236515 944771250 /nfs/dbraw/zinc/77/12/50/944771250.db2.gz KNNOUPSYBPAOOF-IJLUTSLNSA-N 1 0 357.418 0.889 20 50 FCGDRO CC[N@H+](CCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000736537858 944841850 /nfs/dbraw/zinc/84/18/50/944841850.db2.gz XILBDTDGQRKZAO-UHFFFAOYSA-N 1 0 358.406 0.295 20 50 FCGDRO CC[NH+]1CCC(NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736570419 944844931 /nfs/dbraw/zinc/84/49/31/944844931.db2.gz MVDKJVICPIIKKN-UHFFFAOYSA-N 1 0 358.406 0.295 20 50 FCGDRO CC[N@@H+]1CCCN(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)CC1 ZINC000736571035 944846677 /nfs/dbraw/zinc/84/66/77/944846677.db2.gz RJPSQIYXLLHMOE-XNTDXEJSSA-N 1 0 368.445 0.975 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N(C)CC[NH+]2CCCC2)cc(-c2nn[nH]n2)n1C ZINC000737212039 944990473 /nfs/dbraw/zinc/99/04/73/944990473.db2.gz GZTQRIIWOOILTL-GDNBJRDFSA-N 1 0 368.445 0.975 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)NCC[N@@H+](C)C(C)C)cc(-c2nn[nH]n2)n1C ZINC000737212342 944991124 /nfs/dbraw/zinc/99/11/24/944991124.db2.gz ICWJQWDIRQDVIU-RIYZIHGNSA-N 1 0 356.434 0.877 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCC[N@@H+]2C)cc(-c2nn[nH]n2)n1C ZINC000737212633 944994674 /nfs/dbraw/zinc/99/46/74/944994674.db2.gz LQOUDUYJXLZXOU-GUNGLEHYSA-N 1 0 354.418 0.631 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213785 945009681 /nfs/dbraw/zinc/00/96/81/945009681.db2.gz XBLNEKFNJQOXKE-QVYJARAXSA-N 1 0 368.445 0.831 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)NCCCC[NH+](C)C)cc(-c2nn[nH]n2)n1C ZINC000737213895 945010160 /nfs/dbraw/zinc/01/01/60/945010160.db2.gz YHTWBCQSUAOCHR-ZROIWOOFSA-N 1 0 356.434 0.879 20 50 FCGDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820752302 945549397 /nfs/dbraw/zinc/54/93/97/945549397.db2.gz LQKVRPFBVDTWBL-YGRLFVJLSA-N 1 0 370.417 0.293 20 50 FCGDRO CC(C)[N@H+]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC000820752951 945551763 /nfs/dbraw/zinc/55/17/63/945551763.db2.gz UTJCZOAAEOBEMS-FZMZJTMJSA-N 1 0 372.433 0.539 20 50 FCGDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821581351 945723283 /nfs/dbraw/zinc/72/32/83/945723283.db2.gz JGFHEZQHFSXQDM-KGLIPLIRSA-N 1 0 372.433 0.684 20 50 FCGDRO CC[C@@H](C)C[N@H+](CC)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825060741 947063484 /nfs/dbraw/zinc/06/34/84/947063484.db2.gz RWLZTRCJPDFNRK-GFCCVEGCSA-N 1 0 359.434 0.996 20 50 FCGDRO CN(CCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1cc[nH+]cc1 ZINC000825914437 947366836 /nfs/dbraw/zinc/36/68/36/947366836.db2.gz FGMAPXOAHKCFDY-UHFFFAOYSA-N 1 0 366.385 0.549 20 50 FCGDRO CCC[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)CC1CC1 ZINC000825307892 607920722 /nfs/dbraw/zinc/92/07/22/607920722.db2.gz QLQZIFHMIRBPKH-UHFFFAOYSA-N 1 0 357.418 0.750 20 50 FCGDRO C[C@H]1CCCCC[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824936896 607922244 /nfs/dbraw/zinc/92/22/44/607922244.db2.gz MURPCCPJVZOVNI-LBPRGKRZSA-N 1 0 357.418 0.892 20 50 FCGDRO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824908115 607923306 /nfs/dbraw/zinc/92/33/06/607923306.db2.gz MDJFZGKDWHRUBS-VXGBXAGGSA-N 1 0 357.418 0.748 20 50 FCGDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825181949 607923353 /nfs/dbraw/zinc/92/33/53/607923353.db2.gz GRBNFZLYAQKDGG-BXUZGUMPSA-N 1 0 357.418 0.748 20 50 FCGDRO CC(=NNC(=O)[C@@H](C)C[NH+]1CCOCC1)c1ccc(-c2nn[nH]n2)s1 ZINC000823948135 608094115 /nfs/dbraw/zinc/09/41/15/608094115.db2.gz DQCLEIFEDGBEOS-JTQLQIEISA-N 1 0 363.447 0.737 20 50 FCGDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825194901 608264390 /nfs/dbraw/zinc/26/43/90/608264390.db2.gz STCJAQXWHPPMID-BXUZGUMPSA-N 1 0 357.418 0.891 20 50 FCGDRO C[C@H]([NH2+]CC(=O)NNC(=O)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824563136 608464934 /nfs/dbraw/zinc/46/49/34/608464934.db2.gz LVXCGVIHYMZHCF-LBPRGKRZSA-N 1 0 365.397 0.979 20 50 FCGDRO O=C(CCCC[NH+]1CCCC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737825759 945133324 /nfs/dbraw/zinc/13/33/24/945133324.db2.gz PAQLWNFDMYFPBA-UHFFFAOYSA-N 1 0 357.418 0.894 20 50 FCGDRO O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000738137639 945245748 /nfs/dbraw/zinc/24/57/48/945245748.db2.gz WWERMCSZGDIYIA-AWEZNQCLSA-N 1 0 370.417 0.295 20 50 FCGDRO CC(C)[C@@H]1CC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820037248 945335017 /nfs/dbraw/zinc/33/50/17/945335017.db2.gz AGPAREDEBJVDHP-CQSZACIVSA-N 1 0 357.418 0.606 20 50 FCGDRO CCCC[N@H+](C)CCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736453514 944826867 /nfs/dbraw/zinc/82/68/67/944826867.db2.gz OVMWGQDPTMHKTO-UHFFFAOYSA-N 1 0 360.422 0.543 20 50 FCGDRO CC[NH+](CC)CCCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736530353 944838348 /nfs/dbraw/zinc/83/83/48/944838348.db2.gz IIBPBJPYJVYUEX-UHFFFAOYSA-N 1 0 360.422 0.543 20 50 FCGDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736572171 944846075 /nfs/dbraw/zinc/84/60/75/944846075.db2.gz VCUWBVCQOICCCO-AWEZNQCLSA-N 1 0 372.433 0.685 20 50 FCGDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000737005503 944931750 /nfs/dbraw/zinc/93/17/50/944931750.db2.gz BJKAVDWBGJHCDZ-AWEZNQCLSA-N 1 0 360.422 0.604 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)NC[C@H]2CC[N@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213364 945000294 /nfs/dbraw/zinc/00/02/94/945000294.db2.gz RRXNQWAPSPQZJH-KXQKXUNCSA-N 1 0 354.418 0.489 20 50 FCGDRO C[C@H](NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C(C)(C)C[NH+](C)C ZINC000820374216 945437376 /nfs/dbraw/zinc/43/73/76/945437376.db2.gz NDANMJJMUQTWOB-NSHDSACASA-N 1 0 374.449 0.787 20 50 FCGDRO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820649963 945509733 /nfs/dbraw/zinc/50/97/33/945509733.db2.gz PNXKTKWNLGRHRW-TXEJJXNPSA-N 1 0 357.418 0.606 20 50 FCGDRO C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC000820658639 945514521 /nfs/dbraw/zinc/51/45/21/945514521.db2.gz UKVOLWQGTVPQSJ-MFKMUULPSA-N 1 0 358.406 0.293 20 50 FCGDRO C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC000820658640 945515145 /nfs/dbraw/zinc/51/51/45/945515145.db2.gz UKVOLWQGTVPQSJ-ZWNOBZJWSA-N 1 0 358.406 0.293 20 50 FCGDRO C[C@@H]1CCC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)[C@H]1C ZINC000824948827 607923203 /nfs/dbraw/zinc/92/32/03/607923203.db2.gz WBFFDXLIHPDNOM-NEPJUHHUSA-N 1 0 357.418 0.748 20 50 FCGDRO C[C@H]([NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000824564874 608493431 /nfs/dbraw/zinc/49/34/31/608493431.db2.gz XMIZVPHCRKSOTE-LBPRGKRZSA-N 1 0 365.397 0.979 20 50 FCGDRO O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000738136395 945233196 /nfs/dbraw/zinc/23/31/96/945233196.db2.gz LAWGKGHMWSSPHL-ZIAGYGMSSA-N 1 0 370.417 0.438 20 50 FCGDRO C[C@H](C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[NH+]1CCCCCC1 ZINC000735549999 944669722 /nfs/dbraw/zinc/66/97/22/944669722.db2.gz DRTOOMRFBHTVPC-GFCCVEGCSA-N 1 0 357.418 0.892 20 50 FCGDRO CC[NH+]1CCC(CNC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736566377 944844791 /nfs/dbraw/zinc/84/47/91/944844791.db2.gz ZNVGNUSMGXNNHH-UHFFFAOYSA-N 1 0 372.433 0.543 20 50 FCGDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736572261 944846973 /nfs/dbraw/zinc/84/69/73/944846973.db2.gz WQOHKCGJADFPLX-CQSZACIVSA-N 1 0 372.433 0.685 20 50 FCGDRO C[NH+](C)CCCCC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736759207 944883496 /nfs/dbraw/zinc/88/34/96/944883496.db2.gz PYDXNFZBMHELTL-UHFFFAOYSA-N 1 0 361.406 0.125 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc(-c2nn[nH]n2)n1C ZINC000737211399 944985337 /nfs/dbraw/zinc/98/53/37/944985337.db2.gz BYPQHZVXOLMJRI-UJMHRVFCSA-N 1 0 368.445 0.973 20 50 FCGDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820901678 945586647 /nfs/dbraw/zinc/58/66/47/945586647.db2.gz DIYROMRAWIRJRJ-CQSZACIVSA-N 1 0 372.433 0.685 20 50 FCGDRO CC[C@@H]1CCC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820980703 945602839 /nfs/dbraw/zinc/60/28/39/945602839.db2.gz MQLAMCWVLATBPT-GFCCVEGCSA-N 1 0 357.418 0.750 20 50 FCGDRO CC[N@H+]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000821239808 945656133 /nfs/dbraw/zinc/65/61/33/945656133.db2.gz CZOFHMRBRMSGFL-GWCFXTLKSA-N 1 0 358.406 0.151 20 50 FCGDRO C[C@H]1C[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC(C)(C)C1 ZINC000824983804 947021830 /nfs/dbraw/zinc/02/18/30/947021830.db2.gz DAKBAUBOPVTHCZ-GFCCVEGCSA-N 1 0 371.445 0.996 20 50 FCGDRO O=C(C[N@@H+]1CCC[C@@H]1C1CC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410101 607922961 /nfs/dbraw/zinc/92/29/61/607922961.db2.gz BGFJJFGHKVEMGH-CQSZACIVSA-N 1 0 355.402 0.502 20 50 FCGDRO C[C@@H](C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCCCCC1 ZINC000819867604 945302284 /nfs/dbraw/zinc/30/22/84/945302284.db2.gz URVRRLFTGPQVQX-LBPRGKRZSA-N 1 0 357.418 0.892 20 50 FCGDRO C[C@@H](C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[NH+]1CCCCCC1 ZINC000735550000 944668517 /nfs/dbraw/zinc/66/85/17/944668517.db2.gz DRTOOMRFBHTVPC-LBPRGKRZSA-N 1 0 357.418 0.892 20 50 FCGDRO CCC[NH+]1CCC(NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736479221 944830346 /nfs/dbraw/zinc/83/03/46/944830346.db2.gz DSCXULAUHIIESA-UHFFFAOYSA-N 1 0 372.433 0.685 20 50 FCGDRO CC[N@@H+]1CCC[C@H]1CNC(=S)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736570422 944845944 /nfs/dbraw/zinc/84/59/44/944845944.db2.gz MWKAPIKQUCSREF-ZDUSSCGKSA-N 1 0 374.474 0.460 20 50 FCGDRO CN(CC1CC[NH+](C)CC1)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736847122 944898253 /nfs/dbraw/zinc/89/82/53/944898253.db2.gz FCBKVSRFDIUNJW-UHFFFAOYSA-N 1 0 372.433 0.495 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N[C@H](C)CC[NH+](C)C)cc(-c2nn[nH]n2)n1C ZINC000737212534 944993188 /nfs/dbraw/zinc/99/31/88/944993188.db2.gz KRCCJIONIRZZOU-ZEVOCZHWSA-N 1 0 356.434 0.877 20 50 FCGDRO C[C@H]1C[C@H](C)C[NH+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820649214 945508587 /nfs/dbraw/zinc/50/85/87/945508587.db2.gz JYTIRAUAEPEOGP-RYUDHWBXSA-N 1 0 357.418 0.606 20 50 FCGDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820752271 945548244 /nfs/dbraw/zinc/54/82/44/945548244.db2.gz LMSMIIJFRADKJW-BXUZGUMPSA-N 1 0 372.433 0.539 20 50 FCGDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820752950 945551391 /nfs/dbraw/zinc/55/13/91/945551391.db2.gz UTJCZOAAEOBEMS-BXUZGUMPSA-N 1 0 372.433 0.539 20 50 FCGDRO CC[C@H]1CCC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820981792 945603136 /nfs/dbraw/zinc/60/31/36/945603136.db2.gz XBYFPGYDUIRKIT-LBPRGKRZSA-N 1 0 357.418 0.750 20 50 FCGDRO C[C@@H]1CC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[C@@H]1C ZINC000824954926 608377405 /nfs/dbraw/zinc/37/74/05/608377405.db2.gz MCTDQXBFYMFDSA-NEPJUHHUSA-N 1 0 357.418 0.606 20 50 FCGDRO C[C@@H]1CCCCC[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824936894 607922280 /nfs/dbraw/zinc/92/22/80/607922280.db2.gz MURPCCPJVZOVNI-GFCCVEGCSA-N 1 0 357.418 0.892 20 50 FCGDRO C[C@H]1C[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C(C)(C)C1 ZINC000824985302 607923337 /nfs/dbraw/zinc/92/33/37/607923337.db2.gz UYTIKBOSTVZPHN-LLVKDONJSA-N 1 0 357.418 0.748 20 50 FCGDRO O=C(C[N@@H+]1CC[C@H](C2CC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826410669 608173473 /nfs/dbraw/zinc/17/34/73/608173473.db2.gz USRXNJRKVIEDIF-AWEZNQCLSA-N 1 0 355.402 0.360 20 50 FCGDRO CC[NH+](CC)CCC(=O)NN=Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000736534130 944839925 /nfs/dbraw/zinc/83/99/25/944839925.db2.gz MPFQSLBPVOMLDN-UHFFFAOYSA-N 1 0 355.406 0.696 20 50 FCGDRO CC[N@H+](CCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000736537485 944841139 /nfs/dbraw/zinc/84/11/39/944841139.db2.gz UCOIWOFVPJGNRE-UHFFFAOYSA-N 1 0 360.422 0.541 20 50 FCGDRO CC[N@@H+]1CCC[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000736568898 944843568 /nfs/dbraw/zinc/84/35/68/944843568.db2.gz DMBRGAUIFXDKFF-CYBMUJFWSA-N 1 0 358.406 0.295 20 50 FCGDRO CC[N@@H+]1CCC[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000736568900 944843643 /nfs/dbraw/zinc/84/36/43/944843643.db2.gz DMBRGAUIFXDKFF-ZDUSSCGKSA-N 1 0 358.406 0.295 20 50 FCGDRO COCCC[NH+]1CCC(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736982462 944927631 /nfs/dbraw/zinc/92/76/31/944927631.db2.gz XGZKKHBTJLTXKD-UHFFFAOYSA-N 1 0 374.449 0.994 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N[C@H]2CCC[N@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213367 945000857 /nfs/dbraw/zinc/00/08/57/945000857.db2.gz RVECKIMYBQTHJM-GUNGLEHYSA-N 1 0 354.418 0.631 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213666 945005750 /nfs/dbraw/zinc/00/57/50/945005750.db2.gz VOKRAJORCXDRNX-BJYOIMKBSA-N 1 0 368.445 0.829 20 50 FCGDRO C[C@@H](C[NH+]1CCOCC1)C(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820261705 945401118 /nfs/dbraw/zinc/40/11/18/945401118.db2.gz OQIODIFARLUOMG-NSHDSACASA-N 1 0 361.381 0.424 20 50 FCGDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821581482 945722250 /nfs/dbraw/zinc/72/22/50/945722250.db2.gz MLPNBJJKUSDIMW-KBPBESRZSA-N 1 0 372.433 0.684 20 50 FCGDRO CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825194902 608263894 /nfs/dbraw/zinc/26/38/94/608263894.db2.gz STCJAQXWHPPMID-FZMZJTMJSA-N 1 0 357.418 0.891 20 50 FCGDRO O=C(CCCC[NH+]1CCCC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737825652 945132921 /nfs/dbraw/zinc/13/29/21/945132921.db2.gz NLNAMZVKUAUFEN-UHFFFAOYSA-N 1 0 357.418 0.894 20 50 FCGDRO C[C@@H](CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C[NH+]1CCCC1 ZINC000736017586 944733329 /nfs/dbraw/zinc/73/33/29/944733329.db2.gz QRCVSNCDXOZBAQ-LBPRGKRZSA-N 1 0 372.433 0.543 20 50 FCGDRO CC[NH+](CC)C[C@@H](C)NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736534126 944840973 /nfs/dbraw/zinc/84/09/73/944840973.db2.gz MNCQMAYEMATAOL-LLVKDONJSA-N 1 0 360.422 0.541 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737212377 944992556 /nfs/dbraw/zinc/99/25/56/944992556.db2.gz INTNNRUQLGEJNF-XKBFBRDOSA-N 1 0 368.445 0.879 20 50 FCGDRO C[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C ZINC000820657795 945510936 /nfs/dbraw/zinc/51/09/36/945510936.db2.gz MWQOSPQAPPUZJO-ZWNOBZJWSA-N 1 0 358.406 0.293 20 50 FCGDRO C[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1C1CC1 ZINC000820656722 945511888 /nfs/dbraw/zinc/51/18/88/945511888.db2.gz GYCBOGYNSZQMEI-GWCFXTLKSA-N 1 0 370.417 0.436 20 50 FCGDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000820683740 945525089 /nfs/dbraw/zinc/52/50/89/945525089.db2.gz GPGVITDUBZGQGG-VXGBXAGGSA-N 1 0 373.417 0.266 20 50 FCGDRO CC(C)[N@H+]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000820752273 945548018 /nfs/dbraw/zinc/54/80/18/945548018.db2.gz LMSMIIJFRADKJW-FZMZJTMJSA-N 1 0 372.433 0.539 20 50 FCGDRO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1 ZINC000821240300 945658515 /nfs/dbraw/zinc/65/85/15/945658515.db2.gz GDDMPSPJZGGEQW-ZLEYRIATSA-N 1 0 368.445 0.877 20 50 FCGDRO CC[N@H+]1C[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)[C@@H](C)C1 ZINC000821240297 945658723 /nfs/dbraw/zinc/65/87/23/945658723.db2.gz GDDMPSPJZGGEQW-MHSFMVNASA-N 1 0 368.445 0.877 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)NCC[N@H+]2CC[C@H](C)C2)cc(-c2nn[nH]n2)n1C ZINC000822027843 945936392 /nfs/dbraw/zinc/93/63/92/945936392.db2.gz JZBFHPSZGLZIKL-IYVNWDGISA-N 1 0 368.445 0.879 20 50 FCGDRO C[C@H]([N@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C(C)(C)C ZINC000824466732 607920322 /nfs/dbraw/zinc/92/03/22/607920322.db2.gz YLJVROIZBUVFMB-NSHDSACASA-N 1 0 359.434 0.994 20 50 FCGDRO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824930038 607922307 /nfs/dbraw/zinc/92/23/07/607922307.db2.gz ZTIYHYBWEZSSEE-VXGBXAGGSA-N 1 0 357.418 0.891 20 50 FCGDRO C[C@H]1C[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC[C@@H]1C ZINC000824954928 608376812 /nfs/dbraw/zinc/37/68/12/608376812.db2.gz MCTDQXBFYMFDSA-RYUDHWBXSA-N 1 0 357.418 0.606 20 50 FCGDRO C[C@H](CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[NH+]1CCCCC1 ZINC000736017397 944733261 /nfs/dbraw/zinc/73/32/61/944733261.db2.gz MUKVRCLEYVNSSX-GFCCVEGCSA-N 1 0 372.433 0.685 20 50 FCGDRO C[C@H](C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000736237527 944774295 /nfs/dbraw/zinc/77/42/95/944774295.db2.gz QNEZOLXMJAVZGB-GRYCIOLGSA-N 1 0 357.418 0.889 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)NCC[N@@H+](C)C(C)C)cc(-c2nn[nH]n2)n1C ZINC000737212343 944991298 /nfs/dbraw/zinc/99/12/98/944991298.db2.gz ICWJQWDIRQDVIU-ZSOIEALJSA-N 1 0 356.434 0.877 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)NC[C@H]2CCC[N@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737212372 944992586 /nfs/dbraw/zinc/99/25/86/944992586.db2.gz INTNNRUQLGEJNF-BKNIFWKGSA-N 1 0 368.445 0.879 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)NCC2CC[NH+](C)CC2)cc(-c2nn[nH]n2)n1C ZINC000737213715 945005288 /nfs/dbraw/zinc/00/52/88/945005288.db2.gz WBZJBBYSIZTPQK-OVCLIPMQSA-N 1 0 368.445 0.879 20 50 FCGDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820752953 945550558 /nfs/dbraw/zinc/55/05/58/945550558.db2.gz UTJCZOAAEOBEMS-SMDDNHRTSA-N 1 0 372.433 0.539 20 50 FCGDRO CC[C@@]1(C)CC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820951294 945596016 /nfs/dbraw/zinc/59/60/16/945596016.db2.gz XTVZJXDVXVWXNC-KRWDZBQOSA-N 1 0 357.418 0.750 20 50 FCGDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821255216 945661581 /nfs/dbraw/zinc/66/15/81/945661581.db2.gz WNKRZRIGZMDHRQ-AWEZNQCLSA-N 1 0 372.433 0.637 20 50 FCGDRO C[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)CC1CCCC1 ZINC000821593718 945731473 /nfs/dbraw/zinc/73/14/73/945731473.db2.gz GZUCAXLYHCAVPV-UHFFFAOYSA-N 1 0 357.418 0.750 20 50 FCGDRO C[C@@H]([N@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1(C)CC1 ZINC000824466490 946718890 /nfs/dbraw/zinc/71/88/90/946718890.db2.gz XNBPDMZGUGXGIH-LLVKDONJSA-N 1 0 357.418 0.748 20 50 FCGDRO O=C(C[N@@H+]1CCC[C@@H]1C1CCC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410322 607923030 /nfs/dbraw/zinc/92/30/30/607923030.db2.gz JYFQQEPUEXVXIK-OAHLLOKOSA-N 1 0 369.429 0.892 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)NCCOCC[NH+](C)C)cc(-c2nn[nH]n2)n1C ZINC000826235971 609297394 /nfs/dbraw/zinc/29/73/94/609297394.db2.gz VVHYHLJQDCREGY-NTEUORMPSA-N 1 0 372.433 0.115 20 50 FCGDRO CC[NH+](CC)[C@@H](C)CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736534174 944841813 /nfs/dbraw/zinc/84/18/13/944841813.db2.gz NWAGSHWAVGAYIX-NSHDSACASA-N 1 0 360.422 0.541 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc(-c2nn[nH]n2)n1C ZINC000737212607 944994612 /nfs/dbraw/zinc/99/46/12/944994612.db2.gz LGMYWYMMUZPJSO-NHXNDTTKSA-N 1 0 366.429 0.727 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N[C@@H]2CCC[N@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213371 945000201 /nfs/dbraw/zinc/00/02/01/945000201.db2.gz RVECKIMYBQTHJM-SVSAJMPUSA-N 1 0 354.418 0.631 20 50 FCGDRO C[C@H](C[NH+]1CCOCC1)C(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820261704 945401646 /nfs/dbraw/zinc/40/16/46/945401646.db2.gz OQIODIFARLUOMG-LLVKDONJSA-N 1 0 361.381 0.424 20 50 FCGDRO C[C@H]1CCC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820709126 945531967 /nfs/dbraw/zinc/53/19/67/945531967.db2.gz DLKIJHOUTSVZND-LBPRGKRZSA-N 1 0 357.418 0.750 20 50 FCGDRO C[NH+](C)[C@]1(CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)CCSC1 ZINC000821581575 945722789 /nfs/dbraw/zinc/72/27/89/945722789.db2.gz PGDKETPBNFAZJQ-HNNXBMFYSA-N 1 0 362.463 0.930 20 50 FCGDRO O=C(C[N@@H+]1CCC2(CCCC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000822996849 946257285 /nfs/dbraw/zinc/25/72/85/946257285.db2.gz KKFZGKMQOHCIMG-UHFFFAOYSA-N 1 0 369.429 0.894 20 50 FCGDRO CC[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@H](C)C(C)C ZINC000825394387 607921621 /nfs/dbraw/zinc/92/16/21/607921621.db2.gz BMCVQYRFNKXQHV-GFCCVEGCSA-N 1 0 359.434 0.994 20 50 FCGDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[C@H]1C ZINC000825444924 608237029 /nfs/dbraw/zinc/23/70/29/608237029.db2.gz SISQSRIRHWVRFG-VXGBXAGGSA-N 1 0 372.433 0.636 20 50 FCGDRO CCC[C@@H](C(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)[NH+](C)C ZINC000825226149 608752437 /nfs/dbraw/zinc/75/24/37/608752437.db2.gz YRRIFSUPMUSHRR-ZDUSSCGKSA-N 1 0 361.406 0.123 20 50 FCGDRO O=C(NNc1cc[nH+]cc1)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826449154 609172952 /nfs/dbraw/zinc/17/29/52/609172952.db2.gz DUDVTZHOHWQXFC-OAHLLOKOSA-N 1 0 350.386 0.796 20 50 FCGDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000738050825 945176606 /nfs/dbraw/zinc/17/66/06/945176606.db2.gz WNZUMPRIXSUKSU-LLVKDONJSA-N 1 0 370.417 0.295 20 50 FCGDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000738050903 945178190 /nfs/dbraw/zinc/17/81/90/945178190.db2.gz IPAXEQBZDVTHJA-KGLIPLIRSA-N 1 0 358.406 0.356 20 50 FCGDRO O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000738137642 945246374 /nfs/dbraw/zinc/24/63/74/945246374.db2.gz WWERMCSZGDIYIA-CQSZACIVSA-N 1 0 370.417 0.295 20 50 FCGDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736322993 944802370 /nfs/dbraw/zinc/80/23/70/944802370.db2.gz SPNOUEDLJGZSAV-LLVKDONJSA-N 1 0 360.422 0.541 20 50 FCGDRO CC[N@@H+]1CC[C@@H](CNC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1 ZINC000736565530 944844363 /nfs/dbraw/zinc/84/43/63/944844363.db2.gz LFWQFFQXUDZPQO-XKBFBRDOSA-N 1 0 368.445 0.879 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc(-c2nn[nH]n2)n1C ZINC000737212861 944996502 /nfs/dbraw/zinc/99/65/02/944996502.db2.gz NDVWISQNKQRBGQ-LVOZBFFPSA-N 1 0 366.429 0.774 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213783 945007768 /nfs/dbraw/zinc/00/77/68/945007768.db2.gz XBLNEKFNJQOXKE-FEZXJWFHSA-N 1 0 368.445 0.831 20 50 FCGDRO C[C@H](CNC(=O)NNc1cccc(-c2nn[nH]n2)c1)C[NH+]1CCN(C)CC1 ZINC000820269269 945401718 /nfs/dbraw/zinc/40/17/18/945401718.db2.gz INMCXQGWWKXZSB-CYBMUJFWSA-N 1 0 373.465 0.376 20 50 FCGDRO C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[N@@H+]1C1CC1 ZINC000820656844 945510432 /nfs/dbraw/zinc/51/04/32/945510432.db2.gz HREFANSGPZWZAP-MFKMUULPSA-N 1 0 370.417 0.436 20 50 FCGDRO C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[N@@H+]1C1CC1 ZINC000820656846 945511757 /nfs/dbraw/zinc/51/17/57/945511757.db2.gz HREFANSGPZWZAP-ZWNOBZJWSA-N 1 0 370.417 0.436 20 50 FCGDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820901677 945585907 /nfs/dbraw/zinc/58/59/07/945585907.db2.gz DIYROMRAWIRJRJ-AWEZNQCLSA-N 1 0 372.433 0.685 20 50 FCGDRO C[NH+](C)[C@@]1(CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)CCSC1 ZINC000821581576 945723749 /nfs/dbraw/zinc/72/37/49/945723749.db2.gz PGDKETPBNFAZJQ-OAHLLOKOSA-N 1 0 362.463 0.930 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)NCC[N@H+]2CC[C@@H](C)C2)cc(-c2nn[nH]n2)n1C ZINC000822027841 945936788 /nfs/dbraw/zinc/93/67/88/945936788.db2.gz JZBFHPSZGLZIKL-AZZDOICSSA-N 1 0 368.445 0.879 20 50 FCGDRO C[C@@H](C[NH+]1CCOCC1)C(=O)NN=C1CC[NH+](CCCC(=O)[O-])CC1 ZINC000736587274 978344426 /nfs/dbraw/zinc/34/44/26/978344426.db2.gz VECCPEIMICEOEO-AWEZNQCLSA-N 1 0 354.451 0.388 20 50 FCGDRO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824930036 607922111 /nfs/dbraw/zinc/92/21/11/607922111.db2.gz ZTIYHYBWEZSSEE-RYUDHWBXSA-N 1 0 357.418 0.891 20 50 FCGDRO C[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C(C1CC1)C1CC1 ZINC000825892352 607922392 /nfs/dbraw/zinc/92/23/92/607922392.db2.gz LDJLSLRPQGJOJM-UHFFFAOYSA-N 1 0 369.429 0.748 20 50 FCGDRO C[C@H]([NH2+]CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000824562646 608493452 /nfs/dbraw/zinc/49/34/52/608493452.db2.gz HWUMUYRATIOUTE-LBPRGKRZSA-N 1 0 365.397 0.979 20 50 FCGDRO C[C@H](NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1=CC[N@H+](C)CC1 ZINC000824499043 609316085 /nfs/dbraw/zinc/31/60/85/609316085.db2.gz MWSKVJXXDFVTSK-NSHDSACASA-N 1 0 370.417 0.461 20 50 FCGDRO C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1=CC[N@H+](C)CC1 ZINC000824499042 609316638 /nfs/dbraw/zinc/31/66/38/609316638.db2.gz MWSKVJXXDFVTSK-LLVKDONJSA-N 1 0 370.417 0.461 20 50 FCGDRO COCC[N@H+](C)CCNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C ZINC000736991134 944928537 /nfs/dbraw/zinc/92/85/37/944928537.db2.gz YOAYGRDFGKHGSL-ZROIWOOFSA-N 1 0 372.433 0.115 20 50 FCGDRO CCC[N@H+](CC)CCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821094658 945634353 /nfs/dbraw/zinc/63/43/53/945634353.db2.gz NJWZVJQIQIBQQU-UHFFFAOYSA-N 1 0 360.422 0.543 20 50 FCGDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821581352 945723398 /nfs/dbraw/zinc/72/33/98/945723398.db2.gz JGFHEZQHFSXQDM-UONOGXRCSA-N 1 0 372.433 0.684 20 50 FCGDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000825445232 608237039 /nfs/dbraw/zinc/23/70/39/608237039.db2.gz YAEXSIKAIUYCEA-NWDGAFQWSA-N 1 0 372.433 0.636 20 50 FCGDRO C[C@H]1CC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000824957666 608377140 /nfs/dbraw/zinc/37/71/40/608377140.db2.gz YRUOLGPIUACFEE-NWDGAFQWSA-N 1 0 357.418 0.606 20 50 FCGDRO C[C@H]1CC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[C@H]1C ZINC000824954927 608377200 /nfs/dbraw/zinc/37/72/00/608377200.db2.gz MCTDQXBFYMFDSA-NWDGAFQWSA-N 1 0 357.418 0.606 20 50 FCGDRO C[C@@H]1CC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000824957665 608377482 /nfs/dbraw/zinc/37/74/82/608377482.db2.gz YRUOLGPIUACFEE-NEPJUHHUSA-N 1 0 357.418 0.606 20 50 FCGDRO C[NH+](C)CCn1ccc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)n1 ZINC000825870492 608813453 /nfs/dbraw/zinc/81/34/53/608813453.db2.gz OSVQHKOVNBVQKG-UHFFFAOYSA-N 1 0 356.394 0.773 20 50 FCGDRO O=C(NNC(=O)c1ccc(-c2nn[nH]n2)cc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000738136055 945229753 /nfs/dbraw/zinc/22/97/53/945229753.db2.gz DUPABEWPFWEAMI-AWEZNQCLSA-N 1 0 370.417 0.295 20 50 FCGDRO C[C@H]1CCC[N@H+](CCNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000736267492 944781392 /nfs/dbraw/zinc/78/13/92/944781392.db2.gz SLKAPQSWYAMAAD-LBPRGKRZSA-N 1 0 372.433 0.543 20 50 FCGDRO CC[N@@H+]1CC[C@H](CNC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1 ZINC000736565524 944843525 /nfs/dbraw/zinc/84/35/25/944843525.db2.gz LFWQFFQXUDZPQO-BKNIFWKGSA-N 1 0 368.445 0.879 20 50 FCGDRO CC[N@@H+]1CC[C@H](CNC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1 ZINC000736565528 944844637 /nfs/dbraw/zinc/84/46/37/944844637.db2.gz LFWQFFQXUDZPQO-QVYJARAXSA-N 1 0 368.445 0.879 20 50 FCGDRO CN1CC[NH+](CCCCNC(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736862869 944900659 /nfs/dbraw/zinc/90/06/59/944900659.db2.gz GFJZZHWIMQDDHG-UHFFFAOYSA-N 1 0 373.465 0.520 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N(C)CC[NH+]2CCCC2)cc(-c2nn[nH]n2)n1C ZINC000737212040 944990385 /nfs/dbraw/zinc/99/03/85/944990385.db2.gz GZTQRIIWOOILTL-XNTDXEJSSA-N 1 0 368.445 0.975 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)NC[C@H]2CCC[N@@H+]2C)cc(-c2nn[nH]n2)n1C ZINC000737212636 944994549 /nfs/dbraw/zinc/99/45/49/944994549.db2.gz LQOUDUYJXLZXOU-WTWVRAIASA-N 1 0 354.418 0.631 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N2CCC([NH+](C)C)CC2)cc(-c2nn[nH]n2)n1C ZINC000737212881 944997212 /nfs/dbraw/zinc/99/72/12/944997212.db2.gz NHJGVNWJDSMJBI-ZROIWOOFSA-N 1 0 368.445 0.973 20 50 FCGDRO C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[N@@H+]1C1CC1 ZINC000820656841 945510571 /nfs/dbraw/zinc/51/05/71/945510571.db2.gz HREFANSGPZWZAP-GXFFZTMASA-N 1 0 370.417 0.436 20 50 FCGDRO C[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1C1CC1 ZINC000820656728 945512182 /nfs/dbraw/zinc/51/21/82/945512182.db2.gz GYCBOGYNSZQMEI-GXFFZTMASA-N 1 0 370.417 0.436 20 50 FCGDRO CC[N@H+]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC000821239832 945656368 /nfs/dbraw/zinc/65/63/68/945656368.db2.gz DGAAWQJHPSQDGM-GWCFXTLKSA-N 1 0 358.406 0.151 20 50 FCGDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821581350 945723446 /nfs/dbraw/zinc/72/34/46/945723446.db2.gz JGFHEZQHFSXQDM-KBPBESRZSA-N 1 0 372.433 0.684 20 50 FCGDRO O=C(C[N@H+]1C[C@@H]2CCCC[C@@H]2C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822991875 946250041 /nfs/dbraw/zinc/25/00/41/946250041.db2.gz HXGMIACLZYMQQT-GASCZTMLSA-N 1 0 369.429 0.750 20 50 FCGDRO O=C(C[N@@H+]1CCC[C@H]2CCC[C@@H]21)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410672 607924041 /nfs/dbraw/zinc/92/40/41/607924041.db2.gz UUKBGSLDITWXJO-DOMZBBRYSA-N 1 0 369.429 0.892 20 50 FCGDRO Cc1cc(C(=O)NNc2cc[nH+]cc2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826260481 609172441 /nfs/dbraw/zinc/17/24/41/609172441.db2.gz QDRJDIXRMPJUSQ-UHFFFAOYSA-N 1 0 361.369 0.935 20 50 FCGDRO C[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C[C@H]1CC=CCC1 ZINC000825892645 609610539 /nfs/dbraw/zinc/61/05/39/609610539.db2.gz RLAXYTSNELREFV-ZDUSSCGKSA-N 1 0 369.429 0.916 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737211244 944985293 /nfs/dbraw/zinc/98/52/93/944985293.db2.gz BIHHTQMBXKRTRN-OWTLUSIOSA-N 1 0 368.445 0.973 20 50 FCGDRO C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C(C)(C)C[NH+](C)C ZINC000820374880 945439853 /nfs/dbraw/zinc/43/98/53/945439853.db2.gz SDRJCNMXIBASIL-LLVKDONJSA-N 1 0 374.449 0.787 20 50 FCGDRO CC[C@@H]1CCC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820981791 945604005 /nfs/dbraw/zinc/60/40/05/945604005.db2.gz XBYFPGYDUIRKIT-GFCCVEGCSA-N 1 0 357.418 0.750 20 50 FCGDRO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821239817 945656888 /nfs/dbraw/zinc/65/68/88/945656888.db2.gz CZOFHMRBRMSGFL-ZWNOBZJWSA-N 1 0 358.406 0.151 20 50 FCGDRO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824930037 607923344 /nfs/dbraw/zinc/92/33/44/607923344.db2.gz ZTIYHYBWEZSSEE-TXEJJXNPSA-N 1 0 357.418 0.891 20 50 FCGDRO CC(C)(C)[C@@H]1CC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824080134 608128983 /nfs/dbraw/zinc/12/89/83/608128983.db2.gz VCULEMLZIVKGDK-CQSZACIVSA-N 1 0 371.445 0.996 20 50 FCGDRO CC[N@@H+]1C[C@H](C)N(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000825445233 608237000 /nfs/dbraw/zinc/23/70/00/608237000.db2.gz YAEXSIKAIUYCEA-RYUDHWBXSA-N 1 0 372.433 0.636 20 50 FCGDRO CC(C)[NH+]1CCC(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820128597 945358631 /nfs/dbraw/zinc/35/86/31/945358631.db2.gz RCYWZTJBPNMTQR-UHFFFAOYSA-N 1 0 357.418 0.748 20 50 FCGDRO CC[C@H](C)[N@H+](C)CCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736322834 944803024 /nfs/dbraw/zinc/80/30/24/944803024.db2.gz PRUJMZFYKZZPNI-NSHDSACASA-N 1 0 360.422 0.541 20 50 FCGDRO CC[N@@H+]1CCCN(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)CC1 ZINC000736571033 944847308 /nfs/dbraw/zinc/84/73/08/944847308.db2.gz RJPSQIYXLLHMOE-GDNBJRDFSA-N 1 0 368.445 0.975 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737211248 944984942 /nfs/dbraw/zinc/98/49/42/944984942.db2.gz BIHHTQMBXKRTRN-UJMHRVFCSA-N 1 0 368.445 0.973 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N2CCC[C@H]([NH+](C)C)C2)cc(-c2nn[nH]n2)n1C ZINC000737211392 944984998 /nfs/dbraw/zinc/98/49/98/944984998.db2.gz BYPQHZVXOLMJRI-NHXNDTTKSA-N 1 0 368.445 0.973 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)NCC2CC[NH+](C)CC2)cc(-c2nn[nH]n2)n1C ZINC000737213714 945005163 /nfs/dbraw/zinc/00/51/63/945005163.db2.gz WBZJBBYSIZTPQK-NVNXTCNLSA-N 1 0 368.445 0.879 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N2CC[C@H](C[NH+](C)C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213744 945007012 /nfs/dbraw/zinc/00/70/12/945007012.db2.gz WRYOQOWDMLIDHZ-BKNIFWKGSA-N 1 0 368.445 0.831 20 50 FCGDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820752275 945548160 /nfs/dbraw/zinc/54/81/60/945548160.db2.gz LMSMIIJFRADKJW-RISCZKNCSA-N 1 0 372.433 0.539 20 50 FCGDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820752286 945548780 /nfs/dbraw/zinc/54/87/80/945548780.db2.gz LNRYYBSYJIKBLQ-QMTHXVAHSA-N 1 0 370.417 0.293 20 50 FCGDRO CC[NH+](CC)[C@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821180479 945649704 /nfs/dbraw/zinc/64/97/04/945649704.db2.gz DAVLYTOZUFSOMR-AWEZNQCLSA-N 1 0 372.433 0.637 20 50 FCGDRO CC[C@@H]1CCCC[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825195796 607920764 /nfs/dbraw/zinc/92/07/64/607920764.db2.gz YVVSGPDOOGWDBM-CQSZACIVSA-N 1 0 357.418 0.892 20 50 FCGDRO CC[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@@H](C)C(C)C ZINC000825394388 607921426 /nfs/dbraw/zinc/92/14/26/607921426.db2.gz BMCVQYRFNKXQHV-LBPRGKRZSA-N 1 0 359.434 0.994 20 50 FCGDRO C[C@@H](C1CC1)[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000824377417 607921611 /nfs/dbraw/zinc/92/16/11/607921611.db2.gz DDURHQZORDKBOT-NSHDSACASA-N 1 0 369.429 0.891 20 50 FCGDRO CC[C@H]1C[C@H](C)C[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825181951 607923538 /nfs/dbraw/zinc/92/35/38/607923538.db2.gz GRBNFZLYAQKDGG-FZMZJTMJSA-N 1 0 357.418 0.748 20 50 FCGDRO O=C(C[N@@H+]1CCC[C@@H]2CCC[C@H]21)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410674 607923884 /nfs/dbraw/zinc/92/38/84/607923884.db2.gz UUKBGSLDITWXJO-SWLSCSKDSA-N 1 0 369.429 0.892 20 50 FCGDRO CC(C)(C)[C@H]1CC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824080133 608129279 /nfs/dbraw/zinc/12/92/79/608129279.db2.gz VCULEMLZIVKGDK-AWEZNQCLSA-N 1 0 371.445 0.996 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N(C)CCC[NH+](C)C)cc(-c2nn[nH]n2)n1C ZINC000826236145 608592942 /nfs/dbraw/zinc/59/29/42/608592942.db2.gz ZOYLISHIINZDGU-ZROIWOOFSA-N 1 0 356.434 0.831 20 50 FCGDRO O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000738136248 945232018 /nfs/dbraw/zinc/23/20/18/945232018.db2.gz IGUSXGNWPINWTJ-ZIAGYGMSSA-N 1 0 370.417 0.438 20 50 FCGDRO O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000738136390 945234243 /nfs/dbraw/zinc/23/42/43/945234243.db2.gz LAWGKGHMWSSPHL-UONOGXRCSA-N 1 0 370.417 0.438 20 50 FCGDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000736003072 944732940 /nfs/dbraw/zinc/73/29/40/944732940.db2.gz VXZMSYDCNLXIOS-LBPRGKRZSA-N 1 0 359.438 0.129 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc(-c2nn[nH]n2)n1C ZINC000737211763 944988849 /nfs/dbraw/zinc/98/88/49/944988849.db2.gz FNHJJXBJDWEBRP-WTWVRAIASA-N 1 0 354.418 0.583 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)NC[C@H]2CCC[N@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737212375 944993090 /nfs/dbraw/zinc/99/30/90/944993090.db2.gz INTNNRUQLGEJNF-QVYJARAXSA-N 1 0 368.445 0.879 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N[C@@H]2CCC[N@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213373 945000611 /nfs/dbraw/zinc/00/06/11/945000611.db2.gz RVECKIMYBQTHJM-WTWVRAIASA-N 1 0 354.418 0.631 20 50 FCGDRO C[C@H](C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)NN=Cc1ccc(-c2nn[nH]n2)o1 ZINC000820751272 945546945 /nfs/dbraw/zinc/54/69/45/945546945.db2.gz FIXZCJJWMLJTLF-UTUOFQBUSA-N 1 0 361.406 0.655 20 50 FCGDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820752277 945547372 /nfs/dbraw/zinc/54/73/72/945547372.db2.gz LMSMIIJFRADKJW-SMDDNHRTSA-N 1 0 372.433 0.539 20 50 FCGDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820901997 945586851 /nfs/dbraw/zinc/58/68/51/945586851.db2.gz HFGFBXGUUUUFAR-AWEZNQCLSA-N 1 0 372.433 0.685 20 50 FCGDRO CC[C@H]1CCC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820980705 945604047 /nfs/dbraw/zinc/60/40/47/945604047.db2.gz MQLAMCWVLATBPT-LBPRGKRZSA-N 1 0 357.418 0.750 20 50 FCGDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[C@@H]1C ZINC000825444922 608236930 /nfs/dbraw/zinc/23/69/30/608236930.db2.gz SISQSRIRHWVRFG-NWDGAFQWSA-N 1 0 372.433 0.636 20 50 FCGDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825194905 608264170 /nfs/dbraw/zinc/26/41/70/608264170.db2.gz STCJAQXWHPPMID-RISCZKNCSA-N 1 0 357.418 0.891 20 50 FCGDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000735873893 944709131 /nfs/dbraw/zinc/70/91/31/944709131.db2.gz BHRGOFJTEHUURT-LBPRGKRZSA-N 1 0 372.433 0.541 20 50 FCGDRO C[C@@H](C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000736236517 944771404 /nfs/dbraw/zinc/77/14/04/944771404.db2.gz KNNOUPSYBPAOOF-TUAOUCFPSA-N 1 0 357.418 0.889 20 50 FCGDRO C[C@@H](C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000736237531 944774553 /nfs/dbraw/zinc/77/45/53/944774553.db2.gz QNEZOLXMJAVZGB-TUAOUCFPSA-N 1 0 357.418 0.889 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N[C@@H](C)CC[NH+](C)C)cc(-c2nn[nH]n2)n1C ZINC000737212531 944993240 /nfs/dbraw/zinc/99/32/40/944993240.db2.gz KRCCJIONIRZZOU-KSSSLANASA-N 1 0 356.434 0.877 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213787 945007465 /nfs/dbraw/zinc/00/74/65/945007465.db2.gz XBLNEKFNJQOXKE-XKBFBRDOSA-N 1 0 368.445 0.831 20 50 FCGDRO C[C@@H]1CCC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820709125 945532313 /nfs/dbraw/zinc/53/23/13/945532313.db2.gz DLKIJHOUTSVZND-GFCCVEGCSA-N 1 0 357.418 0.750 20 50 FCGDRO C[C@H](C[NH+]1C[C@@H](C)O[C@H](C)C1)C(=O)NN=Cc1ccc(-c2nn[nH]n2)o1 ZINC000820751265 945548305 /nfs/dbraw/zinc/54/83/05/945548305.db2.gz FIXZCJJWMLJTLF-IJLUTSLNSA-N 1 0 361.406 0.655 20 50 FCGDRO CC[C@]1(C)CC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820951295 945596727 /nfs/dbraw/zinc/59/67/27/945596727.db2.gz XTVZJXDVXVWXNC-QGZVFWFLSA-N 1 0 357.418 0.750 20 50 FCGDRO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821239814 945655653 /nfs/dbraw/zinc/65/56/53/945655653.db2.gz CZOFHMRBRMSGFL-GXFFZTMASA-N 1 0 358.406 0.151 20 50 FCGDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821266474 945662078 /nfs/dbraw/zinc/66/20/78/945662078.db2.gz DQBPGOZIZUFAPT-CYBMUJFWSA-N 1 0 358.406 0.295 20 50 FCGDRO O=C(C[NH+]1C[C@@H]2CCCC[C@H]2C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000822992672 946251118 /nfs/dbraw/zinc/25/11/18/946251118.db2.gz LPOPOMDPPFBPDX-GJZGRUSLSA-N 1 0 369.429 0.750 20 50 FCGDRO CC[C@H]1CCCC[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825195794 607920748 /nfs/dbraw/zinc/92/07/48/607920748.db2.gz YVVSGPDOOGWDBM-AWEZNQCLSA-N 1 0 357.418 0.892 20 50 FCGDRO C[C@H]1CC[C@H](C)[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824908114 607923179 /nfs/dbraw/zinc/92/31/79/607923179.db2.gz MDJFZGKDWHRUBS-RYUDHWBXSA-N 1 0 357.418 0.748 20 50 FCGDRO O=C(C[N@@H+]1CC[C@H](C2CC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410644 608171636 /nfs/dbraw/zinc/17/16/36/608171636.db2.gz TYVNHLSDKJVKRD-AWEZNQCLSA-N 1 0 355.402 0.360 20 50 FCGDRO C[C@H]([NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CCOCC1 ZINC000824564124 608536296 /nfs/dbraw/zinc/53/62/96/608536296.db2.gz RYCRVNUWSAFMPH-NSHDSACASA-N 1 0 373.417 0.032 20 50 FCGDRO O=C(NNc1cc[nH+]cc1)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826449153 609172868 /nfs/dbraw/zinc/17/28/68/609172868.db2.gz DUDVTZHOHWQXFC-HNNXBMFYSA-N 1 0 350.386 0.796 20 50 FCGDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000738050905 945179080 /nfs/dbraw/zinc/17/90/80/945179080.db2.gz IPAXEQBZDVTHJA-ZIAGYGMSSA-N 1 0 358.406 0.356 20 50 FCGDRO O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000738136243 945230824 /nfs/dbraw/zinc/23/08/24/945230824.db2.gz IGUSXGNWPINWTJ-KGLIPLIRSA-N 1 0 370.417 0.438 20 50 FCGDRO O=C(NNC(=O)c1ccc(-c2nn[nH]n2)cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000738136316 945234590 /nfs/dbraw/zinc/23/45/90/945234590.db2.gz JCUAPTLSPSLKEK-LBPRGKRZSA-N 1 0 356.390 0.047 20 50 FCGDRO CC(C)[C@@H]1CC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820037798 945335545 /nfs/dbraw/zinc/33/55/45/945335545.db2.gz IDOTYGXQLYMXER-CQSZACIVSA-N 1 0 357.418 0.606 20 50 FCGDRO C[C@H](C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000736236512 944771423 /nfs/dbraw/zinc/77/14/23/944771423.db2.gz KNNOUPSYBPAOOF-GRYCIOLGSA-N 1 0 357.418 0.889 20 50 FCGDRO CC[C@H](C)[N@H+](C)CCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736322994 944802551 /nfs/dbraw/zinc/80/25/51/944802551.db2.gz SPNOUEDLJGZSAV-NSHDSACASA-N 1 0 360.422 0.541 20 50 FCGDRO CCC[NH+]1CCC(NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736481824 944831516 /nfs/dbraw/zinc/83/15/16/944831516.db2.gz ZIGPZMYHBYVGGF-UHFFFAOYSA-N 1 0 372.433 0.685 20 50 FCGDRO CC[N@H+](CCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000736537521 944840905 /nfs/dbraw/zinc/84/09/05/944840905.db2.gz VVXFCPVMXULSRD-UHFFFAOYSA-N 1 0 360.422 0.541 20 50 FCGDRO CC[NH+]1CCC(CNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736565972 944844196 /nfs/dbraw/zinc/84/41/96/944844196.db2.gz VQCVWWLWLIYPAS-UHFFFAOYSA-N 1 0 372.433 0.543 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213668 945006394 /nfs/dbraw/zinc/00/63/94/945006394.db2.gz VOKRAJORCXDRNX-DSTGGHDTSA-N 1 0 368.445 0.829 20 50 FCGDRO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820649965 945508675 /nfs/dbraw/zinc/50/86/75/945508675.db2.gz PNXKTKWNLGRHRW-VXGBXAGGSA-N 1 0 357.418 0.606 20 50 FCGDRO C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[N@@H+]1C1CC1 ZINC000820656839 945512231 /nfs/dbraw/zinc/51/22/31/945512231.db2.gz HREFANSGPZWZAP-GWCFXTLKSA-N 1 0 370.417 0.436 20 50 FCGDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821254956 945657953 /nfs/dbraw/zinc/65/79/53/945657953.db2.gz QRFCDDXHXOHKKO-CQSZACIVSA-N 1 0 372.433 0.637 20 50 FCGDRO O=C(C[NH+]1C[C@H]2CCCC[C@@H]2C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822991879 946249740 /nfs/dbraw/zinc/24/97/40/946249740.db2.gz HXGMIACLZYMQQT-HUUCEWRRSA-N 1 0 369.429 0.750 20 50 FCGDRO O=C(C[NH+]1CCCCCCC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000822997122 946256637 /nfs/dbraw/zinc/25/66/37/946256637.db2.gz NRNWIWOGKUWMQB-UHFFFAOYSA-N 1 0 357.418 0.894 20 50 FCGDRO CN(CCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cc[nH+]cc1 ZINC000825914466 947368501 /nfs/dbraw/zinc/36/85/01/947368501.db2.gz GOCNHPGKROXBAV-UHFFFAOYSA-N 1 0 366.385 0.549 20 50 FCGDRO C[C@H](C1CC1)[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000824377416 607921056 /nfs/dbraw/zinc/92/10/56/607921056.db2.gz DDURHQZORDKBOT-LLVKDONJSA-N 1 0 369.429 0.891 20 50 FCGDRO CC(C)(C)[C@@H]1CC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824077701 608129271 /nfs/dbraw/zinc/12/92/71/608129271.db2.gz DPQHCRWDRNHQFI-CQSZACIVSA-N 1 0 371.445 0.996 20 50 FCGDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825194907 608264100 /nfs/dbraw/zinc/26/41/00/608264100.db2.gz STCJAQXWHPPMID-SMDDNHRTSA-N 1 0 357.418 0.891 20 50 FCGDRO Nc1c(-c2nn[nH]n2)cnn1-c1ccc(C(=O)NNc2cc[nH+]cc2)cc1 ZINC000826395256 609173032 /nfs/dbraw/zinc/17/30/32/609173032.db2.gz UETVTNURUPXTMH-UHFFFAOYSA-N 1 0 362.357 0.208 20 50 FCGDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000738050904 945178374 /nfs/dbraw/zinc/17/83/74/945178374.db2.gz IPAXEQBZDVTHJA-UONOGXRCSA-N 1 0 358.406 0.356 20 50 FCGDRO O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)NC1CC[NH+](C2CC2)CC1 ZINC000738135918 945229096 /nfs/dbraw/zinc/22/90/96/945229096.db2.gz DJFXNJYZOCKQJR-UHFFFAOYSA-N 1 0 370.417 0.438 20 50 FCGDRO O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000738136240 945230773 /nfs/dbraw/zinc/23/07/73/945230773.db2.gz IGUSXGNWPINWTJ-KBPBESRZSA-N 1 0 370.417 0.438 20 50 FCGDRO C[C@H](CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C[NH+]1CCCC1 ZINC000736017585 944732106 /nfs/dbraw/zinc/73/21/06/944732106.db2.gz QRCVSNCDXOZBAQ-GFCCVEGCSA-N 1 0 372.433 0.543 20 50 FCGDRO C[N@H+](CCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1CCCC1 ZINC000736801025 944893811 /nfs/dbraw/zinc/89/38/11/944893811.db2.gz QCDUAZLQFLKGME-UHFFFAOYSA-N 1 0 372.433 0.685 20 50 FCGDRO C[N@@H+]1CCC[C@H](CNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000736858596 944900893 /nfs/dbraw/zinc/90/08/93/944900893.db2.gz UGBBLLVNZDJHGN-LLVKDONJSA-N 1 0 358.406 0.153 20 50 FCGDRO C[N@@H+]1CCC[C@@H](CNC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736854199 944901265 /nfs/dbraw/zinc/90/12/65/944901265.db2.gz BJDYXAMFDNRKNT-NSHDSACASA-N 1 0 358.406 0.153 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc(-c2nn[nH]n2)n1C ZINC000737212610 944994719 /nfs/dbraw/zinc/99/47/19/944994719.db2.gz LGMYWYMMUZPJSO-OWTLUSIOSA-N 1 0 366.429 0.727 20 50 FCGDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000820683738 945525071 /nfs/dbraw/zinc/52/50/71/945525071.db2.gz GPGVITDUBZGQGG-RYUDHWBXSA-N 1 0 373.417 0.266 20 50 FCGDRO C[C@@H]1CCC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820709810 945530911 /nfs/dbraw/zinc/53/09/11/945530911.db2.gz MESZDDYDCMIGQY-GFCCVEGCSA-N 1 0 357.418 0.750 20 50 FCGDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820752301 945548729 /nfs/dbraw/zinc/54/87/29/945548729.db2.gz LQKVRPFBVDTWBL-QMTHXVAHSA-N 1 0 370.417 0.293 20 50 FCGDRO O=C(C[N@@H+]1CCC[C@H]1C1CC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410100 607922796 /nfs/dbraw/zinc/92/27/96/607922796.db2.gz BGFJJFGHKVEMGH-AWEZNQCLSA-N 1 0 355.402 0.502 20 50 FCGDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824948831 607923226 /nfs/dbraw/zinc/92/32/26/607923226.db2.gz WBFFDXLIHPDNOM-NWDGAFQWSA-N 1 0 357.418 0.748 20 50 FCGDRO C[C@@H]1CCC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)[C@@H]1C ZINC000824948838 607923341 /nfs/dbraw/zinc/92/33/41/607923341.db2.gz WBFFDXLIHPDNOM-VXGBXAGGSA-N 1 0 357.418 0.748 20 50 FCGDRO CC[N@@H+]1C[C@H](C)N(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[C@H]1C ZINC000825444921 608236925 /nfs/dbraw/zinc/23/69/25/608236925.db2.gz SISQSRIRHWVRFG-NEPJUHHUSA-N 1 0 372.433 0.636 20 50 FCGDRO C[NH+](C)CCn1cc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)cn1 ZINC000825870397 608813757 /nfs/dbraw/zinc/81/37/57/608813757.db2.gz KOZICCWSHYGQPR-UHFFFAOYSA-N 1 0 356.394 0.773 20 50 FCGDRO CC(C)C[C@H](C[NH+](C)C)NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000735760320 944699856 /nfs/dbraw/zinc/69/98/56/944699856.db2.gz ARVGVWBEJGWLQO-CQSZACIVSA-N 1 0 374.449 0.787 20 50 FCGDRO CCCC[N@H+](C)CCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736452167 944825762 /nfs/dbraw/zinc/82/57/62/944825762.db2.gz ASSUBTXNLGFSBI-UHFFFAOYSA-N 1 0 360.422 0.543 20 50 FCGDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736572259 944847175 /nfs/dbraw/zinc/84/71/75/944847175.db2.gz WQOHKCGJADFPLX-AWEZNQCLSA-N 1 0 372.433 0.685 20 50 FCGDRO C[NH+]1CCC(CCNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736849308 944900839 /nfs/dbraw/zinc/90/08/39/944900839.db2.gz RIZGOGHHYUCUBN-UHFFFAOYSA-N 1 0 372.433 0.543 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737211238 944985083 /nfs/dbraw/zinc/98/50/83/944985083.db2.gz BIHHTQMBXKRTRN-NHXNDTTKSA-N 1 0 368.445 0.973 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N[C@@H](C)CC[NH+](C)C)cc(-c2nn[nH]n2)n1C ZINC000737212533 944993510 /nfs/dbraw/zinc/99/35/10/944993510.db2.gz KRCCJIONIRZZOU-KYJZABPNSA-N 1 0 356.434 0.877 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc(-c2nn[nH]n2)n1C ZINC000737212612 944994564 /nfs/dbraw/zinc/99/45/64/944994564.db2.gz LGMYWYMMUZPJSO-UJMHRVFCSA-N 1 0 366.429 0.727 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213670 945006818 /nfs/dbraw/zinc/00/68/18/945006818.db2.gz VOKRAJORCXDRNX-JGEIXWAWSA-N 1 0 368.445 0.829 20 50 FCGDRO CC[C@]1(C)CC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820949493 945593819 /nfs/dbraw/zinc/59/38/19/945593819.db2.gz BEEJYNGVVIGMES-QGZVFWFLSA-N 1 0 357.418 0.750 20 50 FCGDRO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1 ZINC000821240295 945660040 /nfs/dbraw/zinc/66/00/40/945660040.db2.gz GDDMPSPJZGGEQW-GHVMHYGSSA-N 1 0 368.445 0.877 20 50 FCGDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821581483 945723476 /nfs/dbraw/zinc/72/34/76/945723476.db2.gz MLPNBJJKUSDIMW-KGLIPLIRSA-N 1 0 372.433 0.684 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)NC2CC[NH+](C)CC2)cc(-c2nn[nH]n2)n1C ZINC000822027327 945931016 /nfs/dbraw/zinc/93/10/16/945931016.db2.gz GICIPFLBDFXTBE-MDWZMJQESA-N 1 0 354.418 0.631 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)NCC[N@H+]2CC[C@@H](C)C2)cc(-c2nn[nH]n2)n1C ZINC000822027846 945935976 /nfs/dbraw/zinc/93/59/76/945935976.db2.gz JZBFHPSZGLZIKL-PWDRSIHYSA-N 1 0 368.445 0.879 20 50 FCGDRO O=C(C[NH+]1C[C@@H]2CCCC[C@H]2C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822991877 946249749 /nfs/dbraw/zinc/24/97/49/946249749.db2.gz HXGMIACLZYMQQT-GJZGRUSLSA-N 1 0 369.429 0.750 20 50 FCGDRO O=C(C[NH+]1CCCCCCC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822997580 946258931 /nfs/dbraw/zinc/25/89/31/946258931.db2.gz SRGAXPPMNMQRPF-UHFFFAOYSA-N 1 0 357.418 0.894 20 50 FCGDRO CC(C)C([NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000824198991 946616308 /nfs/dbraw/zinc/61/63/08/946616308.db2.gz FTWZYUOGDFBWBZ-UHFFFAOYSA-N 1 0 359.434 0.898 20 50 FCGDRO CC(=NNC(=O)[C@H](C)C[NH+]1CCOCC1)c1ccc(-c2nn[nH]n2)s1 ZINC000823948136 608094083 /nfs/dbraw/zinc/09/40/83/608094083.db2.gz DQCLEIFEDGBEOS-SNVBAGLBSA-N 1 0 363.447 0.737 20 50 FCGDRO CC[C@H](C)C[N@H+](CC)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825060188 608159459 /nfs/dbraw/zinc/15/94/59/608159459.db2.gz OFHYGPXZOXWRFR-LBPRGKRZSA-N 1 0 359.434 0.996 20 50 FCGDRO C[C@@H]1CC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000824957671 608377640 /nfs/dbraw/zinc/37/76/40/608377640.db2.gz YRUOLGPIUACFEE-VXGBXAGGSA-N 1 0 357.418 0.606 20 50 FCGDRO O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000738136386 945233047 /nfs/dbraw/zinc/23/30/47/945233047.db2.gz LAWGKGHMWSSPHL-KGLIPLIRSA-N 1 0 370.417 0.438 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCC[N@@H+]2C)cc(-c2nn[nH]n2)n1C ZINC000737212634 944994909 /nfs/dbraw/zinc/99/49/09/944994909.db2.gz LQOUDUYJXLZXOU-LVOZBFFPSA-N 1 0 354.418 0.631 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)NC[C@H]2CCC[N@@H+]2C)cc(-c2nn[nH]n2)n1C ZINC000737212635 944995343 /nfs/dbraw/zinc/99/53/43/944995343.db2.gz LQOUDUYJXLZXOU-SVSAJMPUSA-N 1 0 354.418 0.631 20 50 FCGDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820752299 945548185 /nfs/dbraw/zinc/54/81/85/945548185.db2.gz LQKVRPFBVDTWBL-IINYFYTJSA-N 1 0 370.417 0.293 20 50 FCGDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820752288 945549077 /nfs/dbraw/zinc/54/90/77/945549077.db2.gz LNRYYBSYJIKBLQ-YGRLFVJLSA-N 1 0 370.417 0.293 20 50 FCGDRO CC[C@@]1(C)CC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820949491 945593056 /nfs/dbraw/zinc/59/30/56/945593056.db2.gz BEEJYNGVVIGMES-KRWDZBQOSA-N 1 0 357.418 0.750 20 50 FCGDRO C[C@@H]1C[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC(C)(C)C1 ZINC000824983805 947023169 /nfs/dbraw/zinc/02/31/69/947023169.db2.gz DAKBAUBOPVTHCZ-LBPRGKRZSA-N 1 0 371.445 0.996 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)NCC2=CC[N@H+](C)CC2)cc(-c2nn[nH]n2)n1C ZINC000826235843 947691811 /nfs/dbraw/zinc/69/18/11/947691811.db2.gz SIFAHTYNGVIVHR-NVNXTCNLSA-N 1 0 366.429 0.799 20 50 FCGDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825181955 607923707 /nfs/dbraw/zinc/92/37/07/607923707.db2.gz GRBNFZLYAQKDGG-SMDDNHRTSA-N 1 0 357.418 0.748 20 50 FCGDRO C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1=CC[N@H+](C)CC1 ZINC000824498166 609316187 /nfs/dbraw/zinc/31/61/87/609316187.db2.gz CMVQLPQMFSUDEL-LLVKDONJSA-N 1 0 370.417 0.461 20 50 FCGDRO CC(C)[C@H]1CC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820037797 945333865 /nfs/dbraw/zinc/33/38/65/945333865.db2.gz IDOTYGXQLYMXER-AWEZNQCLSA-N 1 0 357.418 0.606 20 50 FCGDRO C[C@H](C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000736237529 944772682 /nfs/dbraw/zinc/77/26/82/944772682.db2.gz QNEZOLXMJAVZGB-IJLUTSLNSA-N 1 0 357.418 0.889 20 50 FCGDRO C[NH+]1CCC(NC(=S)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736853860 944900884 /nfs/dbraw/zinc/90/08/84/944900884.db2.gz APOYNCYJZHDKCH-UHFFFAOYSA-N 1 0 360.447 0.070 20 50 FCGDRO COc1ccc(C=NNC(=O)[C@H](C)C[NH+]2CCOCC2)cc1-c1nn[nH]n1 ZINC000737081143 944952115 /nfs/dbraw/zinc/95/21/15/944952115.db2.gz KZEZLVUFMKNSQD-GFCCVEGCSA-N 1 0 373.417 0.294 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)NC[C@@H]2CC[N@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213362 945001480 /nfs/dbraw/zinc/00/14/80/945001480.db2.gz RRXNQWAPSPQZJH-JVXNRYDGSA-N 1 0 354.418 0.489 20 50 FCGDRO C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C(C)(C)C[NH+](C)C ZINC000820374209 945437015 /nfs/dbraw/zinc/43/70/15/945437015.db2.gz NDANMJJMUQTWOB-LLVKDONJSA-N 1 0 374.449 0.787 20 50 FCGDRO C[C@@H](C[NH+]1C[C@@H](C)O[C@H](C)C1)C(=O)NN=Cc1ccc(-c2nn[nH]n2)o1 ZINC000820751268 945548981 /nfs/dbraw/zinc/54/89/81/945548981.db2.gz FIXZCJJWMLJTLF-QJPTWQEYSA-N 1 0 361.406 0.655 20 50 FCGDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820752952 945551690 /nfs/dbraw/zinc/55/16/90/945551690.db2.gz UTJCZOAAEOBEMS-RISCZKNCSA-N 1 0 372.433 0.539 20 50 FCGDRO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821239837 945658486 /nfs/dbraw/zinc/65/84/86/945658486.db2.gz DGAAWQJHPSQDGM-ZWNOBZJWSA-N 1 0 358.406 0.151 20 50 FCGDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821266769 945661026 /nfs/dbraw/zinc/66/10/26/945661026.db2.gz HAXSQZNXHHRGRO-ZDUSSCGKSA-N 1 0 358.406 0.295 20 50 FCGDRO C[C@H]1C[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC(C)(C)C1 ZINC000824985897 947027129 /nfs/dbraw/zinc/02/71/29/947027129.db2.gz ZRGYAPXXHRZNKZ-GFCCVEGCSA-N 1 0 371.445 0.996 20 50 FCGDRO CN(C)c1cc[nH+]cc1C=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825883894 947355380 /nfs/dbraw/zinc/35/53/80/947355380.db2.gz OZOCKETZMUYAMK-UHFFFAOYSA-N 1 0 366.385 0.857 20 50 FCGDRO CCC[C@H](C(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)[NH+](C)C ZINC000825226147 608752337 /nfs/dbraw/zinc/75/23/37/608752337.db2.gz YRRIFSUPMUSHRR-CYBMUJFWSA-N 1 0 361.406 0.123 20 50 FCGDRO O=C(CCCC(=O)Nc1ccccc1-c1nn[nH]n1)NNc1cc[nH+]cc1 ZINC000826405787 609173060 /nfs/dbraw/zinc/17/30/60/609173060.db2.gz UCZYIRSTDGYNSC-UHFFFAOYSA-N 1 0 366.385 0.936 20 50 FCGDRO CC(C)[NH+]1CCC(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820126627 945357517 /nfs/dbraw/zinc/35/75/17/945357517.db2.gz BRAAUSZSWUGCJJ-UHFFFAOYSA-N 1 0 357.418 0.748 20 50 FCGDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736322833 944801455 /nfs/dbraw/zinc/80/14/55/944801455.db2.gz PRUJMZFYKZZPNI-LLVKDONJSA-N 1 0 360.422 0.541 20 50 FCGDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000736478671 944831150 /nfs/dbraw/zinc/83/11/50/944831150.db2.gz CJGHTLLMCDKUIZ-LBPRGKRZSA-N 1 0 372.433 0.543 20 50 FCGDRO C[NH+]1CCC(CCNC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736849317 944900623 /nfs/dbraw/zinc/90/06/23/944900623.db2.gz ROZYZJTXSKKVGW-UHFFFAOYSA-N 1 0 372.433 0.543 20 50 FCGDRO COCC[N@H+](C)CCNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C ZINC000736991131 944928879 /nfs/dbraw/zinc/92/88/79/944928879.db2.gz YOAYGRDFGKHGSL-NTEUORMPSA-N 1 0 372.433 0.115 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc(-c2nn[nH]n2)n1C ZINC000737212603 944994479 /nfs/dbraw/zinc/99/44/79/944994479.db2.gz LGMYWYMMUZPJSO-CKNOQMABSA-N 1 0 366.429 0.727 20 50 FCGDRO CCC[N@H+](CC)CCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821095167 945634136 /nfs/dbraw/zinc/63/41/36/945634136.db2.gz ZTRFMKYWYBCZJU-UHFFFAOYSA-N 1 0 360.422 0.543 20 50 FCGDRO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821239834 945657071 /nfs/dbraw/zinc/65/70/71/945657071.db2.gz DGAAWQJHPSQDGM-GXFFZTMASA-N 1 0 358.406 0.151 20 50 FCGDRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)NNc1cc[nH+]cc1 ZINC000826175907 609172470 /nfs/dbraw/zinc/17/24/70/609172470.db2.gz UQTNMCOIWZXXOR-UHFFFAOYSA-N 1 0 369.385 0.995 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)NCCOCC[NH+](C)C)cc(-c2nn[nH]n2)n1C ZINC000826235972 609296944 /nfs/dbraw/zinc/29/69/44/609296944.db2.gz VVHYHLJQDCREGY-ZROIWOOFSA-N 1 0 372.433 0.115 20 50 FCGDRO CC(C)[C@H]1CC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820037247 945334279 /nfs/dbraw/zinc/33/42/79/945334279.db2.gz AGPAREDEBJVDHP-AWEZNQCLSA-N 1 0 357.418 0.606 20 50 FCGDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000735760318 944699353 /nfs/dbraw/zinc/69/93/53/944699353.db2.gz ARVGVWBEJGWLQO-AWEZNQCLSA-N 1 0 374.449 0.787 20 50 FCGDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000735873892 944709418 /nfs/dbraw/zinc/70/94/18/944709418.db2.gz BHRGOFJTEHUURT-GFCCVEGCSA-N 1 0 372.433 0.541 20 50 FCGDRO C[C@@H](CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[NH+]1CCCCC1 ZINC000736017399 944733053 /nfs/dbraw/zinc/73/30/53/944733053.db2.gz MUKVRCLEYVNSSX-LBPRGKRZSA-N 1 0 372.433 0.685 20 50 FCGDRO C[NH+](C)C1(CNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCCC1 ZINC000736757294 944884586 /nfs/dbraw/zinc/88/45/86/944884586.db2.gz QHLISCZWVYWEQY-UHFFFAOYSA-N 1 0 372.433 0.685 20 50 FCGDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000737005506 944931585 /nfs/dbraw/zinc/93/15/85/944931585.db2.gz BJKAVDWBGJHCDZ-CQSZACIVSA-N 1 0 360.422 0.604 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc(-c2nn[nH]n2)n1C ZINC000737211390 944984171 /nfs/dbraw/zinc/98/41/71/944984171.db2.gz BYPQHZVXOLMJRI-CKNOQMABSA-N 1 0 368.445 0.973 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N2CC[C@H]([NH+](C)C)C2)cc(-c2nn[nH]n2)n1C ZINC000737211756 944988922 /nfs/dbraw/zinc/98/89/22/944988922.db2.gz FNHJJXBJDWEBRP-GUNGLEHYSA-N 1 0 354.418 0.583 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N2CC[C@H]([NH+](C)C)C2)cc(-c2nn[nH]n2)n1C ZINC000737211759 944989516 /nfs/dbraw/zinc/98/95/16/944989516.db2.gz FNHJJXBJDWEBRP-LVOZBFFPSA-N 1 0 354.418 0.583 20 50 FCGDRO C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC000820658638 945513518 /nfs/dbraw/zinc/51/35/18/945513518.db2.gz UKVOLWQGTVPQSJ-GXFFZTMASA-N 1 0 358.406 0.293 20 50 FCGDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820752284 945548076 /nfs/dbraw/zinc/54/80/76/945548076.db2.gz LNRYYBSYJIKBLQ-IINYFYTJSA-N 1 0 370.417 0.293 20 50 FCGDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820901998 945587143 /nfs/dbraw/zinc/58/71/43/945587143.db2.gz HFGFBXGUUUUFAR-CQSZACIVSA-N 1 0 372.433 0.685 20 50 FCGDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821182176 945649105 /nfs/dbraw/zinc/64/91/05/945649105.db2.gz SEBQEAWFFMLJIP-CQSZACIVSA-N 1 0 372.433 0.637 20 50 FCGDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821581484 945723539 /nfs/dbraw/zinc/72/35/39/945723539.db2.gz MLPNBJJKUSDIMW-UONOGXRCSA-N 1 0 372.433 0.684 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)NC2CC[NH+](C)CC2)cc(-c2nn[nH]n2)n1C ZINC000822027321 945931857 /nfs/dbraw/zinc/93/18/57/945931857.db2.gz GICIPFLBDFXTBE-JYRVWZFOSA-N 1 0 354.418 0.631 20 50 FCGDRO O=C(C[N@H+]1C[C@@H]2CCCC[C@@H]2C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000822992670 946250081 /nfs/dbraw/zinc/25/00/81/946250081.db2.gz LPOPOMDPPFBPDX-GASCZTMLSA-N 1 0 369.429 0.750 20 50 FCGDRO C[C@@H]1C[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C(C)(C)C1 ZINC000824985303 607923079 /nfs/dbraw/zinc/92/30/79/607923079.db2.gz UYTIKBOSTVZPHN-NSHDSACASA-N 1 0 357.418 0.748 20 50 FCGDRO CC[N@@H+]1C[C@H](C)N(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[C@@H]1C ZINC000825444923 608236610 /nfs/dbraw/zinc/23/66/10/608236610.db2.gz SISQSRIRHWVRFG-RYUDHWBXSA-N 1 0 372.433 0.636 20 50 FCGDRO O=C(NNc1cc[nH+]cc1)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826449513 609263356 /nfs/dbraw/zinc/26/33/56/609263356.db2.gz WNYQBEIAHAUNLR-UHFFFAOYSA-N 1 0 358.749 0.419 20 50 FCGDRO C[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C[C@@H]1CC=CCC1 ZINC000825892644 609610228 /nfs/dbraw/zinc/61/02/28/609610228.db2.gz RLAXYTSNELREFV-CYBMUJFWSA-N 1 0 369.429 0.916 20 50 FCGDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000738050826 945176414 /nfs/dbraw/zinc/17/64/14/945176414.db2.gz WNZUMPRIXSUKSU-NSHDSACASA-N 1 0 370.417 0.295 20 50 FCGDRO O=C(NCCC[NH+]1CCCC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000738065877 945180871 /nfs/dbraw/zinc/18/08/71/945180871.db2.gz LROSULJWCVFEDX-UHFFFAOYSA-N 1 0 358.406 0.297 20 50 FCGDRO CC[N@H+](CCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000736536706 944840627 /nfs/dbraw/zinc/84/06/27/944840627.db2.gz NCOODWLXSYRENR-UHFFFAOYSA-N 1 0 358.406 0.295 20 50 FCGDRO COc1ccc(C=NNC(=O)[C@@H](C)C[NH+]2CCOCC2)cc1-c1nn[nH]n1 ZINC000737081147 944953522 /nfs/dbraw/zinc/95/35/22/944953522.db2.gz KZEZLVUFMKNSQD-LBPRGKRZSA-N 1 0 373.417 0.294 20 50 FCGDRO C[C@H](NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C(C)(C)C[NH+](C)C ZINC000820374881 945439920 /nfs/dbraw/zinc/43/99/20/945439920.db2.gz SDRJCNMXIBASIL-NSHDSACASA-N 1 0 374.449 0.787 20 50 FCGDRO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820649216 945508210 /nfs/dbraw/zinc/50/82/10/945508210.db2.gz JYTIRAUAEPEOGP-TXEJJXNPSA-N 1 0 357.418 0.606 20 50 FCGDRO C[C@H]1C[C@H](C)C[NH+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820649962 945508996 /nfs/dbraw/zinc/50/89/96/945508996.db2.gz PNXKTKWNLGRHRW-RYUDHWBXSA-N 1 0 357.418 0.606 20 50 FCGDRO CC[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CCCC1 ZINC000825394371 607921461 /nfs/dbraw/zinc/92/14/61/607921461.db2.gz AWBKHHSDRYEXEN-UHFFFAOYSA-N 1 0 357.418 0.892 20 50 FCGDRO O=C(C[N@@H+]1CCC[C@@H]2CCC[C@@H]21)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410675 607923872 /nfs/dbraw/zinc/92/38/72/607923872.db2.gz UUKBGSLDITWXJO-WFASDCNBSA-N 1 0 369.429 0.892 20 50 FCGDRO O=C(C[N@@H+]1CC[C@@H](C2CC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410645 608171736 /nfs/dbraw/zinc/17/17/36/608171736.db2.gz TYVNHLSDKJVKRD-CQSZACIVSA-N 1 0 355.402 0.360 20 50 FCGDRO C[C@@H]1CC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[C@H]1C ZINC000824954929 608377519 /nfs/dbraw/zinc/37/75/19/608377519.db2.gz MCTDQXBFYMFDSA-VXGBXAGGSA-N 1 0 357.418 0.606 20 50 FCGDRO CC(C)[NH+]1CCC(NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735873960 944709667 /nfs/dbraw/zinc/70/96/67/944709667.db2.gz BYCOBQWYVJFCJE-UHFFFAOYSA-N 1 0 372.433 0.684 20 50 FCGDRO C[C@@H]1CCC[N@H+](CCNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000736267490 944781592 /nfs/dbraw/zinc/78/15/92/944781592.db2.gz SLKAPQSWYAMAAD-GFCCVEGCSA-N 1 0 372.433 0.543 20 50 FCGDRO CN(CC1CC[NH+](C)CC1)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736848761 944898047 /nfs/dbraw/zinc/89/80/47/944898047.db2.gz MWXGNWMCYYWTDW-UHFFFAOYSA-N 1 0 372.433 0.495 20 50 FCGDRO C[N@@H+]1CCC[C@H](CNC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736854198 944899918 /nfs/dbraw/zinc/89/99/18/944899918.db2.gz BJDYXAMFDNRKNT-LLVKDONJSA-N 1 0 358.406 0.153 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N[C@H]2CCC[N@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213369 945001106 /nfs/dbraw/zinc/00/11/06/945001106.db2.gz RVECKIMYBQTHJM-LVOZBFFPSA-N 1 0 354.418 0.631 20 50 FCGDRO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820649218 945508045 /nfs/dbraw/zinc/50/80/45/945508045.db2.gz JYTIRAUAEPEOGP-VXGBXAGGSA-N 1 0 357.418 0.606 20 50 FCGDRO CC[NH+](CC)[C@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821182174 945649601 /nfs/dbraw/zinc/64/96/01/945649601.db2.gz SEBQEAWFFMLJIP-AWEZNQCLSA-N 1 0 372.433 0.637 20 50 FCGDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821254955 945658224 /nfs/dbraw/zinc/65/82/24/945658224.db2.gz QRFCDDXHXOHKKO-AWEZNQCLSA-N 1 0 372.433 0.637 20 50 FCGDRO CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821239836 945658398 /nfs/dbraw/zinc/65/83/98/945658398.db2.gz DGAAWQJHPSQDGM-MFKMUULPSA-N 1 0 358.406 0.151 20 50 FCGDRO CC(C)[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CCC1 ZINC000824289150 607924812 /nfs/dbraw/zinc/92/48/12/607924812.db2.gz VZQNBEHNLJEWDO-UHFFFAOYSA-N 1 0 357.418 0.891 20 50 FCGDRO C[NH+](C)C1CCN(CCNC(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825856397 607994887 /nfs/dbraw/zinc/99/48/87/607994887.db2.gz VASCFFLTKYVAIX-UHFFFAOYSA-N 1 0 373.465 0.519 20 50 FCGDRO CC[C@@H](C)C[N@H+](CC)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825060187 608159075 /nfs/dbraw/zinc/15/90/75/608159075.db2.gz OFHYGPXZOXWRFR-GFCCVEGCSA-N 1 0 359.434 0.996 20 50 FCGDRO C[C@@H]([NH2+]CC(=O)NNC(=O)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824563135 608465029 /nfs/dbraw/zinc/46/50/29/608465029.db2.gz LVXCGVIHYMZHCF-GFCCVEGCSA-N 1 0 365.397 0.979 20 50 FCGDRO C[C@@H]([NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CCOCC1 ZINC000824564123 608536434 /nfs/dbraw/zinc/53/64/34/608536434.db2.gz RYCRVNUWSAFMPH-LLVKDONJSA-N 1 0 373.417 0.032 20 50 FCGDRO O=C(NCCC[NH+]1CCCCC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000738066656 945180297 /nfs/dbraw/zinc/18/02/97/945180297.db2.gz SVOKDMMCFTZVJX-UHFFFAOYSA-N 1 0 372.433 0.687 20 50 FCGDRO O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000738136245 945230564 /nfs/dbraw/zinc/23/05/64/945230564.db2.gz IGUSXGNWPINWTJ-UONOGXRCSA-N 1 0 370.417 0.438 20 50 FCGDRO C=CC[NH+]1CCC(NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735425789 944648415 /nfs/dbraw/zinc/64/84/15/944648415.db2.gz HBISOTHZONMNLF-UHFFFAOYSA-N 1 0 370.417 0.461 20 50 FCGDRO CC(C)[NH+](CCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000735860632 944706588 /nfs/dbraw/zinc/70/65/88/944706588.db2.gz KACLDQXICWJBKW-UHFFFAOYSA-N 1 0 374.449 0.930 20 50 FCGDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736572172 944846299 /nfs/dbraw/zinc/84/62/99/944846299.db2.gz VCUWBVCQOICCCO-CQSZACIVSA-N 1 0 372.433 0.685 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213671 945005733 /nfs/dbraw/zinc/00/57/33/945005733.db2.gz VOKRAJORCXDRNX-VIIWAURFSA-N 1 0 368.445 0.829 20 50 FCGDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821581353 945723251 /nfs/dbraw/zinc/72/32/51/945723251.db2.gz JGFHEZQHFSXQDM-ZIAGYGMSSA-N 1 0 372.433 0.684 20 50 FCGDRO C[C@H]([N@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1(C)CC1 ZINC000824466493 946720725 /nfs/dbraw/zinc/72/07/25/946720725.db2.gz XNBPDMZGUGXGIH-NSHDSACASA-N 1 0 357.418 0.748 20 50 FCGDRO C[C@@H]1C[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC(C)(C)C1 ZINC000824985898 947026454 /nfs/dbraw/zinc/02/64/54/947026454.db2.gz ZRGYAPXXHRZNKZ-LBPRGKRZSA-N 1 0 371.445 0.996 20 50 FCGDRO CC[C@H](C)C[N@H+](CC)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825060742 947062524 /nfs/dbraw/zinc/06/25/24/947062524.db2.gz RWLZTRCJPDFNRK-LBPRGKRZSA-N 1 0 359.434 0.996 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)NCC2=CC[N@H+](C)CC2)cc(-c2nn[nH]n2)n1C ZINC000826235844 947691567 /nfs/dbraw/zinc/69/15/67/947691567.db2.gz SIFAHTYNGVIVHR-OVCLIPMQSA-N 1 0 366.429 0.799 20 50 FCGDRO C[C@H]1CCC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)[C@H]1C ZINC000824948834 607923242 /nfs/dbraw/zinc/92/32/42/607923242.db2.gz WBFFDXLIHPDNOM-RYUDHWBXSA-N 1 0 357.418 0.748 20 50 FCGDRO O=C(C[N@@H+]1CCC[C@H]2CCC[C@H]21)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410673 607923922 /nfs/dbraw/zinc/92/39/22/607923922.db2.gz UUKBGSLDITWXJO-IUODEOHRSA-N 1 0 369.429 0.892 20 50 FCGDRO CC(C)(C)[C@H]1CC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824077699 608129196 /nfs/dbraw/zinc/12/91/96/608129196.db2.gz DPQHCRWDRNHQFI-AWEZNQCLSA-N 1 0 371.445 0.996 20 50 FCGDRO C[C@H]([NH2+]CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1CCOCC1 ZINC000824562375 608536392 /nfs/dbraw/zinc/53/63/92/608536392.db2.gz GNAGBNBSYYDKAY-NSHDSACASA-N 1 0 373.417 0.032 20 50 FCGDRO O=C(NNC(=O)c1ccc(-c2nn[nH]n2)cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000738136315 945233855 /nfs/dbraw/zinc/23/38/55/945233855.db2.gz JCUAPTLSPSLKEK-GFCCVEGCSA-N 1 0 356.390 0.047 20 50 FCGDRO C[C@H](C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCCCCC1 ZINC000819867603 945301116 /nfs/dbraw/zinc/30/11/16/945301116.db2.gz URVRRLFTGPQVQX-GFCCVEGCSA-N 1 0 357.418 0.892 20 50 FCGDRO C[C@@H](C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000736237533 944773768 /nfs/dbraw/zinc/77/37/68/944773768.db2.gz QNEZOLXMJAVZGB-UTUOFQBUSA-N 1 0 357.418 0.889 20 50 FCGDRO CC[NH+](CC)C[C@H](C)NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736534128 944841879 /nfs/dbraw/zinc/84/18/79/944841879.db2.gz MNCQMAYEMATAOL-NSHDSACASA-N 1 0 360.422 0.541 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc(-c2nn[nH]n2)n1C ZINC000737212865 944996551 /nfs/dbraw/zinc/99/65/51/944996551.db2.gz NDVWISQNKQRBGQ-WTWVRAIASA-N 1 0 366.429 0.774 20 50 FCGDRO C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1C1CC1 ZINC000820656732 945511565 /nfs/dbraw/zinc/51/15/65/945511565.db2.gz GYCBOGYNSZQMEI-ZWNOBZJWSA-N 1 0 370.417 0.436 20 50 FCGDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820752297 945548369 /nfs/dbraw/zinc/54/83/69/945548369.db2.gz LQKVRPFBVDTWBL-HZMBPMFUSA-N 1 0 370.417 0.293 20 50 FCGDRO C[C@@H]([N@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C(C)(C)C ZINC000824466730 607920562 /nfs/dbraw/zinc/92/05/62/607920562.db2.gz YLJVROIZBUVFMB-LLVKDONJSA-N 1 0 359.434 0.994 20 50 FCGDRO CC(C)[C@@H]1CCC[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824216383 607921140 /nfs/dbraw/zinc/92/11/40/607921140.db2.gz QRWXPSGVUGEHBM-AWEZNQCLSA-N 1 0 357.418 0.748 20 50 FCGDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825181953 607923407 /nfs/dbraw/zinc/92/34/07/607923407.db2.gz GRBNFZLYAQKDGG-RISCZKNCSA-N 1 0 357.418 0.748 20 50 FCGDRO C[C@@H]([NH2+]CC(=O)NNC(=O)c1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824562672 608488067 /nfs/dbraw/zinc/48/80/67/608488067.db2.gz IETMHEBTUXMLLT-GFCCVEGCSA-N 1 0 365.397 0.979 20 50 FCGDRO C[C@@H]([NH2+]CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000824562645 608493335 /nfs/dbraw/zinc/49/33/35/608493335.db2.gz HWUMUYRATIOUTE-GFCCVEGCSA-N 1 0 365.397 0.979 20 50 FCGDRO C[C@@H]([NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000824564873 608493523 /nfs/dbraw/zinc/49/35/23/608493523.db2.gz XMIZVPHCRKSOTE-GFCCVEGCSA-N 1 0 365.397 0.979 20 50 FCGDRO C[N@@H+](CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CC=CCC1 ZINC000825892313 609610277 /nfs/dbraw/zinc/61/02/77/609610277.db2.gz JTEUKNZSTUZKPW-CYBMUJFWSA-N 1 0 369.429 0.916 20 50 FCGDRO O=C(NNC(=O)c1ccc(-c2nn[nH]n2)cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000738136057 945229282 /nfs/dbraw/zinc/22/92/82/945229282.db2.gz DUPABEWPFWEAMI-CQSZACIVSA-N 1 0 370.417 0.295 20 50 FCGDRO O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000738137202 945241271 /nfs/dbraw/zinc/24/12/71/945241271.db2.gz RYHLQVFSTPKNPD-LBPRGKRZSA-N 1 0 356.390 0.047 20 50 FCGDRO C[C@H](CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)C1CC1 ZINC000736017923 944734361 /nfs/dbraw/zinc/73/43/61/944734361.db2.gz RUDRMVVZHXXYCI-SNVBAGLBSA-N 1 0 358.406 0.293 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N2CCC[C@H]([NH+](C)C)C2)cc(-c2nn[nH]n2)n1C ZINC000737211396 944985018 /nfs/dbraw/zinc/98/50/18/944985018.db2.gz BYPQHZVXOLMJRI-OWTLUSIOSA-N 1 0 368.445 0.973 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)NC[C@@H]2CC[N@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213366 945001997 /nfs/dbraw/zinc/00/19/97/945001997.db2.gz RRXNQWAPSPQZJH-VWBIBIBXSA-N 1 0 354.418 0.489 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N2CC[C@H](C[NH+](C)C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213746 945005635 /nfs/dbraw/zinc/00/56/35/945005635.db2.gz WRYOQOWDMLIDHZ-QVYJARAXSA-N 1 0 368.445 0.831 20 50 FCGDRO C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC000820658637 945515166 /nfs/dbraw/zinc/51/51/66/945515166.db2.gz UKVOLWQGTVPQSJ-GWCFXTLKSA-N 1 0 358.406 0.293 20 50 FCGDRO CC[N@H+]1C[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)[C@@H](C)C1 ZINC000821240292 945658855 /nfs/dbraw/zinc/65/88/55/945658855.db2.gz GDDMPSPJZGGEQW-BDITXVESSA-N 1 0 368.445 0.877 20 50 FCGDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821581485 945723312 /nfs/dbraw/zinc/72/33/12/945723312.db2.gz MLPNBJJKUSDIMW-ZIAGYGMSSA-N 1 0 372.433 0.684 20 50 FCGDRO C[N@@H+](CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)CC1CCCC1 ZINC000821594001 945733091 /nfs/dbraw/zinc/73/30/91/945733091.db2.gz TWGBFJMJCSYCGC-UHFFFAOYSA-N 1 0 357.418 0.750 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)NCC[N@H+]2CC[C@H](C)C2)cc(-c2nn[nH]n2)n1C ZINC000822027839 945935829 /nfs/dbraw/zinc/93/58/29/945935829.db2.gz JZBFHPSZGLZIKL-AAWHYMEISA-N 1 0 368.445 0.879 20 50 FCGDRO O=C(C[N@@H+]1CC[C@@H](C2CC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826410670 608173700 /nfs/dbraw/zinc/17/37/00/608173700.db2.gz USRXNJRKVIEDIF-CQSZACIVSA-N 1 0 355.402 0.360 20 50 FCGDRO C[C@@H]([NH2+]CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1CCOCC1 ZINC000824562374 608536374 /nfs/dbraw/zinc/53/63/74/608536374.db2.gz GNAGBNBSYYDKAY-LLVKDONJSA-N 1 0 373.417 0.032 20 50 FCGDRO C[N@@H+](CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C[C@H]1CC=CCC1 ZINC000825892314 609610362 /nfs/dbraw/zinc/61/03/62/609610362.db2.gz JTEUKNZSTUZKPW-ZDUSSCGKSA-N 1 0 369.429 0.916 20 50 FCGDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000736003070 944732369 /nfs/dbraw/zinc/73/23/69/944732369.db2.gz VXZMSYDCNLXIOS-GFCCVEGCSA-N 1 0 359.438 0.129 20 50 FCGDRO C[C@@H](C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000736236519 944771599 /nfs/dbraw/zinc/77/15/99/944771599.db2.gz KNNOUPSYBPAOOF-UTUOFQBUSA-N 1 0 357.418 0.889 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N2CCC([NH+](C)C)CC2)cc(-c2nn[nH]n2)n1C ZINC000737212879 944997180 /nfs/dbraw/zinc/99/71/80/944997180.db2.gz NHJGVNWJDSMJBI-NTEUORMPSA-N 1 0 368.445 0.973 20 50 FCGDRO C[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C ZINC000820657790 945511489 /nfs/dbraw/zinc/51/14/89/945511489.db2.gz MWQOSPQAPPUZJO-GWCFXTLKSA-N 1 0 358.406 0.293 20 50 FCGDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000820683739 945523668 /nfs/dbraw/zinc/52/36/68/945523668.db2.gz GPGVITDUBZGQGG-TXEJJXNPSA-N 1 0 373.417 0.266 20 50 FCGDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821266767 945660871 /nfs/dbraw/zinc/66/08/71/945660871.db2.gz HAXSQZNXHHRGRO-CYBMUJFWSA-N 1 0 358.406 0.295 20 50 FCGDRO CN(C)c1cc[nH+]cc1C=NNC(=O)COc1ccccc1-c1nn[nH]n1 ZINC000825883416 947356077 /nfs/dbraw/zinc/35/60/77/947356077.db2.gz GTFYRFHPFLFBPX-UHFFFAOYSA-N 1 0 366.385 0.857 20 50 FCGDRO CCC[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)CC(C)C ZINC000825307744 607921631 /nfs/dbraw/zinc/92/16/31/607921631.db2.gz OJNDTSZPIWYRPJ-UHFFFAOYSA-N 1 0 359.434 0.996 20 50 FCGDRO C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824908113 607923291 /nfs/dbraw/zinc/92/32/91/607923291.db2.gz MDJFZGKDWHRUBS-NWDGAFQWSA-N 1 0 357.418 0.748 20 50 FCGDRO O=C(C[NH+](CC1CC1)CC1CC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410043 607925450 /nfs/dbraw/zinc/92/54/50/607925450.db2.gz ZFODXKMTKWGOQH-UHFFFAOYSA-N 1 0 369.429 0.750 20 50 FCGDRO O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000738136382 945232870 /nfs/dbraw/zinc/23/28/70/945232870.db2.gz LAWGKGHMWSSPHL-KBPBESRZSA-N 1 0 370.417 0.438 20 50 FCGDRO CCC[N@@H+]1CC[C@H](CNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000736478669 944830075 /nfs/dbraw/zinc/83/00/75/944830075.db2.gz CJGHTLLMCDKUIZ-GFCCVEGCSA-N 1 0 372.433 0.543 20 50 FCGDRO CC[NH+](CC)[C@H](C)CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736534173 944841344 /nfs/dbraw/zinc/84/13/44/944841344.db2.gz NWAGSHWAVGAYIX-LLVKDONJSA-N 1 0 360.422 0.541 20 50 FCGDRO CC[N@@H+]1CC[C@@H](CNC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1 ZINC000736565526 944844052 /nfs/dbraw/zinc/84/40/52/944844052.db2.gz LFWQFFQXUDZPQO-FEZXJWFHSA-N 1 0 368.445 0.879 20 50 FCGDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736570421 944846586 /nfs/dbraw/zinc/84/65/86/944846586.db2.gz MWKAPIKQUCSREF-CYBMUJFWSA-N 1 0 374.474 0.460 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc(-c2nn[nH]n2)n1C ZINC000737212859 944996305 /nfs/dbraw/zinc/99/63/05/944996305.db2.gz NDVWISQNKQRBGQ-GUNGLEHYSA-N 1 0 366.429 0.774 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)NC[C@H]2CC[N@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213360 945000787 /nfs/dbraw/zinc/00/07/87/945000787.db2.gz RRXNQWAPSPQZJH-CHJAJTDHSA-N 1 0 354.418 0.489 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213747 945009621 /nfs/dbraw/zinc/00/96/21/945009621.db2.gz WRYOQOWDMLIDHZ-XKBFBRDOSA-N 1 0 368.445 0.831 20 50 FCGDRO C[C@@H](CNC(=O)NNc1cccc(-c2nn[nH]n2)c1)C[NH+]1CCN(C)CC1 ZINC000820269270 945402489 /nfs/dbraw/zinc/40/24/89/945402489.db2.gz INMCXQGWWKXZSB-ZDUSSCGKSA-N 1 0 373.465 0.376 20 50 FCGDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821180480 945649282 /nfs/dbraw/zinc/64/92/82/945649282.db2.gz DAVLYTOZUFSOMR-CQSZACIVSA-N 1 0 372.433 0.637 20 50 FCGDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821266475 945661909 /nfs/dbraw/zinc/66/19/09/945661909.db2.gz DQBPGOZIZUFAPT-ZDUSSCGKSA-N 1 0 358.406 0.295 20 50 FCGDRO C[C@H](C[NH+]1CCOCC1)C(=O)NN=C1CC[NH+](CCCC(=O)[O-])CC1 ZINC000736587276 978344639 /nfs/dbraw/zinc/34/46/39/978344639.db2.gz VECCPEIMICEOEO-CQSZACIVSA-N 1 0 354.451 0.388 20 50 FCGDRO CC(C)[C@H]1CCC[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824216384 607921032 /nfs/dbraw/zinc/92/10/32/607921032.db2.gz QRWXPSGVUGEHBM-CQSZACIVSA-N 1 0 357.418 0.748 20 50 FCGDRO C[C@@H]1CC[C@H](C)[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824908112 607923329 /nfs/dbraw/zinc/92/33/29/607923329.db2.gz MDJFZGKDWHRUBS-NEPJUHHUSA-N 1 0 357.418 0.748 20 50 FCGDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000825445234 608236580 /nfs/dbraw/zinc/23/65/80/608236580.db2.gz YAEXSIKAIUYCEA-VXGBXAGGSA-N 1 0 372.433 0.636 20 50 FCGDRO C[C@H]([NH2+]CC(=O)NNC(=O)c1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824562673 608487959 /nfs/dbraw/zinc/48/79/59/608487959.db2.gz IETMHEBTUXMLLT-LBPRGKRZSA-N 1 0 365.397 0.979 20 50 FCGDRO C[C@H](CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[N@H+](C)C1CC1 ZINC000736017594 944732394 /nfs/dbraw/zinc/73/23/94/944732394.db2.gz QSXMYDGXFPIKIK-SNVBAGLBSA-N 1 0 358.406 0.293 20 50 FCGDRO C[C@@H](CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)C1CC1 ZINC000736017922 944735227 /nfs/dbraw/zinc/73/52/27/944735227.db2.gz RUDRMVVZHXXYCI-JTQLQIEISA-N 1 0 358.406 0.293 20 50 FCGDRO C[NH+](C)CCC(=O)NNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736758373 944882758 /nfs/dbraw/zinc/88/27/58/944882758.db2.gz GOJUCMDKWHCRIC-UHFFFAOYSA-N 1 0 368.854 0.789 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N[C@H](C)CC[NH+](C)C)cc(-c2nn[nH]n2)n1C ZINC000737212529 944993687 /nfs/dbraw/zinc/99/36/87/944993687.db2.gz KRCCJIONIRZZOU-GYBQTFJISA-N 1 0 356.434 0.877 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc(-c2nn[nH]n2)n1C ZINC000737212863 944996584 /nfs/dbraw/zinc/99/65/84/944996584.db2.gz NDVWISQNKQRBGQ-SVSAJMPUSA-N 1 0 366.429 0.774 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)NCCCC[NH+](C)C)cc(-c2nn[nH]n2)n1C ZINC000737213894 945010773 /nfs/dbraw/zinc/01/07/73/945010773.db2.gz YHTWBCQSUAOCHR-NTEUORMPSA-N 1 0 356.434 0.879 20 50 FCGDRO C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C ZINC000820657793 945510397 /nfs/dbraw/zinc/51/03/97/945510397.db2.gz MWQOSPQAPPUZJO-MFKMUULPSA-N 1 0 358.406 0.293 20 50 FCGDRO O=C(C[NH+]1C[C@H]2CCCC[C@@H]2C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000822992674 946250677 /nfs/dbraw/zinc/25/06/77/946250677.db2.gz LPOPOMDPPFBPDX-HUUCEWRRSA-N 1 0 369.429 0.750 20 50 FCGDRO O=C(C[N@@H+]1CCC2(CCCC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822997088 946257835 /nfs/dbraw/zinc/25/78/35/946257835.db2.gz MWLIGWHNGIYEIL-UHFFFAOYSA-N 1 0 369.429 0.894 20 50 FCGDRO C[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CCCCC1 ZINC000825892608 607920833 /nfs/dbraw/zinc/92/08/33/607920833.db2.gz PXEIBVSGQJSKBJ-UHFFFAOYSA-N 1 0 357.418 0.892 20 50 FCGDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736001384 944733548 /nfs/dbraw/zinc/73/35/48/944733548.db2.gz LTNGJJKQTFOADI-GFCCVEGCSA-N 1 0 372.433 0.685 20 50 FCGDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736001387 944733715 /nfs/dbraw/zinc/73/37/15/944733715.db2.gz LTNGJJKQTFOADI-LBPRGKRZSA-N 1 0 372.433 0.685 20 50 FCGDRO C[N@H+](CCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CCCC1 ZINC000736801476 944893901 /nfs/dbraw/zinc/89/39/01/944893901.db2.gz WJQDPHADLBQJOQ-UHFFFAOYSA-N 1 0 372.433 0.685 20 50 FCGDRO C[N@@H+]1CCC[C@@H](CNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000736858598 944901352 /nfs/dbraw/zinc/90/13/52/944901352.db2.gz UGBBLLVNZDJHGN-NSHDSACASA-N 1 0 358.406 0.153 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737211233 944984859 /nfs/dbraw/zinc/98/48/59/944984859.db2.gz BIHHTQMBXKRTRN-CKNOQMABSA-N 1 0 368.445 0.973 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737212373 944992367 /nfs/dbraw/zinc/99/23/67/944992367.db2.gz INTNNRUQLGEJNF-FEZXJWFHSA-N 1 0 368.445 0.879 20 50 FCGDRO Cc1c(C=C(C#N)C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213780 945009225 /nfs/dbraw/zinc/00/92/25/945009225.db2.gz XBLNEKFNJQOXKE-BKNIFWKGSA-N 1 0 368.445 0.831 20 50 FCGDRO C[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C ZINC000820657791 945512352 /nfs/dbraw/zinc/51/23/52/945512352.db2.gz MWQOSPQAPPUZJO-GXFFZTMASA-N 1 0 358.406 0.293 20 50 FCGDRO C[C@H]1CCC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820709813 945532243 /nfs/dbraw/zinc/53/22/43/945532243.db2.gz MESZDDYDCMIGQY-LBPRGKRZSA-N 1 0 357.418 0.750 20 50 FCGDRO CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821239816 945655286 /nfs/dbraw/zinc/65/52/86/945655286.db2.gz CZOFHMRBRMSGFL-MFKMUULPSA-N 1 0 358.406 0.151 20 50 FCGDRO