smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)C[N@H+]1CCCC12CCN(c1nc3cc(F)c(F)cc3c(Cl)c1C#N)CC2 ZINC001164691367 719757179 /nfs/dbraw/zinc/75/71/79/719757179.db2.gz NXALEJOQMIMCIK-UHFFFAOYSA-N 1 1 433.890 3.219 20 30 IGEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742670 720830838 /nfs/dbraw/zinc/83/08/38/720830838.db2.gz QKJSPCQGVMOKPT-RCCFBDPRSA-N 1 1 447.921 3.122 20 30 IGEDMO Cc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C=NO)c1 ZINC001164755612 720899842 /nfs/dbraw/zinc/89/98/42/720899842.db2.gz MERXJKWCAOIISG-NOZRDPDXSA-N 1 1 435.572 3.348 20 30 IGEDMO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164861871 721002498 /nfs/dbraw/zinc/00/24/98/721002498.db2.gz QZSXSNQTSXHTTQ-WMZOPIPTSA-N 1 1 447.543 3.028 20 30 IGEDMO C=CCOc1cc(C)nc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164776734 721351349 /nfs/dbraw/zinc/35/13/49/721351349.db2.gz CFCWFPOTICMVBC-QHCPKHFHSA-N 1 1 427.549 3.074 20 30 IGEDMO C=CCOc1cc(C)nc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164776734 721351356 /nfs/dbraw/zinc/35/13/56/721351356.db2.gz CFCWFPOTICMVBC-QHCPKHFHSA-N 1 1 427.549 3.074 20 30 IGEDMO C=CCOc1cc(C)nc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164789959 721460574 /nfs/dbraw/zinc/46/05/74/721460574.db2.gz YTBAMCBHQDAAPO-NRFANRHFSA-N 1 1 430.593 3.084 20 30 IGEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(C#N)cnc3cnc(Cl)cc32)[C@@H]2CCCO[C@@H]12 ZINC001164809975 721534459 /nfs/dbraw/zinc/53/44/59/721534459.db2.gz VXSCQQYIBVVWMC-TXTKFYIRSA-N 1 1 434.931 3.418 20 30 IGEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2C#N)[C@@H]2CCCO[C@@H]12 ZINC001164803074 721545348 /nfs/dbraw/zinc/54/53/48/721545348.db2.gz HVEKRCCQICVIQD-QWFCFKBJSA-N 1 1 433.890 3.415 20 30 IGEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2C#N)[C@@H]2CCCO[C@@H]12 ZINC001164803074 721545351 /nfs/dbraw/zinc/54/53/51/721545351.db2.gz HVEKRCCQICVIQD-QWFCFKBJSA-N 1 1 433.890 3.415 20 30 IGEDMO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971474 722109864 /nfs/dbraw/zinc/10/98/64/722109864.db2.gz CQJAQHLDRLQNPJ-LPHOPBHVSA-N 1 1 433.890 3.274 20 30 IGEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981053 722121715 /nfs/dbraw/zinc/12/17/15/722121715.db2.gz SFFPPSQKZVJCJY-ZWKOTPCHSA-N 1 1 433.890 3.274 20 30 IGEDMO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984628 722132946 /nfs/dbraw/zinc/13/29/46/722132946.db2.gz YAGVEYVMUGMKJU-LPHOPBHVSA-N 1 1 433.890 3.274 20 30 IGEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(C4(C#N)CCOCC4)cn3)CC[C@@H]21 ZINC001164835574 720593856 /nfs/dbraw/zinc/59/38/56/720593856.db2.gz BKHVRWNDLXAZTE-PUHATCMVSA-N 1 1 434.588 3.228 20 30 IGEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739267 720831604 /nfs/dbraw/zinc/83/16/04/720831604.db2.gz HWTDMXTYRKJMSN-SZVBFZGTSA-N 1 1 447.921 3.122 20 30 IGEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C)[C@H]2C ZINC001164862601 721013227 /nfs/dbraw/zinc/01/32/27/721013227.db2.gz RIDCPBJQCZZEJQ-FUHWJXTLSA-N 1 1 439.564 3.043 20 30 IGEDMO Cc1c(Cl)c(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1C#N ZINC001164889977 721393659 /nfs/dbraw/zinc/39/36/59/721393659.db2.gz NCEJYULHUUCSOY-KKSFZXQISA-N 1 1 438.403 3.334 20 30 IGEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(C#N)c2)[C@H]2CCCO[C@@H]12 ZINC001164810088 721551900 /nfs/dbraw/zinc/55/19/00/721551900.db2.gz WYADJCGHGUJLKI-NLWGTHIKSA-N 1 1 433.890 3.415 20 30 IGEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(C#N)c2)[C@H]2CCCO[C@@H]12 ZINC001164810088 721551903 /nfs/dbraw/zinc/55/19/03/721551903.db2.gz WYADJCGHGUJLKI-NLWGTHIKSA-N 1 1 433.890 3.415 20 30 IGEDMO N#Cc1ccc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164979307 722101773 /nfs/dbraw/zinc/10/17/73/722101773.db2.gz HXQCMRLTGIUMCO-ZWKOTPCHSA-N 1 1 433.890 3.274 20 30 IGEDMO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164985444 722133341 /nfs/dbraw/zinc/13/33/41/722133341.db2.gz ZMRGUDKPBRVHLZ-KNQAVFIVSA-N 1 1 448.571 3.060 20 30 IGEDMO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984629 722133463 /nfs/dbraw/zinc/13/34/63/722133463.db2.gz YAGVEYVMUGMKJU-QFBILLFUSA-N 1 1 433.890 3.274 20 30 IGEDMO N#Cc1ccc(-c2ccncc2)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979600 722138386 /nfs/dbraw/zinc/13/83/86/722138386.db2.gz LMEILJQFIOFZGI-UPVQGACJSA-N 1 1 426.524 3.138 20 30 IGEDMO C[N@@H+](Cc1ccc(N2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)nc1)C1CC1 ZINC001164663456 719358780 /nfs/dbraw/zinc/35/87/80/719358780.db2.gz FYZMHUOKOVGYFB-VWLOTQADSA-N 1 1 432.572 3.066 20 30 IGEDMO CSc1nc(Cl)c(C#N)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164834941 720505675 /nfs/dbraw/zinc/50/56/75/720505675.db2.gz IOUYQQGQMOBKHL-BFYDXBDKSA-N 1 1 431.997 3.298 20 30 IGEDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)CC[C@H]2C1 ZINC001164855347 720893588 /nfs/dbraw/zinc/89/35/88/720893588.db2.gz BHNKRHYNTTWRLF-ORAYPTAESA-N 1 1 436.890 3.212 20 30 IGEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cnc(Cl)nc4Oc4ccc(C#N)cc4)C[C@H]3C2)cn1 ZINC001164759440 721240118 /nfs/dbraw/zinc/24/01/18/721240118.db2.gz AHMYJYOKIXBSRD-RTBURBONSA-N 1 1 449.946 3.486 20 30 IGEDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(-c5cccs5)ccc4C#N)C3)O2)CC1 ZINC001164894899 721436535 /nfs/dbraw/zinc/43/65/35/721436535.db2.gz NACNIIUNMVATAZ-YKSBVNFPSA-N 1 1 437.613 3.447 20 30 IGEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccnc(Cl)c2C#N)[C@H]2CCCO[C@@H]12 ZINC001164807150 721533395 /nfs/dbraw/zinc/53/33/95/721533395.db2.gz PQCMXWPPNJKXNZ-IPMKNSEASA-N 1 1 433.890 3.415 20 30 IGEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccnc(Cl)c2C#N)[C@H]2CCCO[C@@H]12 ZINC001164807150 721533398 /nfs/dbraw/zinc/53/33/98/721533398.db2.gz PQCMXWPPNJKXNZ-IPMKNSEASA-N 1 1 433.890 3.415 20 30 IGEDMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cc(Cl)nc(Cl)c2C#N)CC1 ZINC001165008436 721729823 /nfs/dbraw/zinc/72/98/23/721729823.db2.gz OBLSARJEPIFERR-UHFFFAOYSA-N 1 1 446.329 3.328 20 30 IGEDMO N#Cc1ccc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164979301 722101646 /nfs/dbraw/zinc/10/16/46/722101646.db2.gz HXQCMRLTGIUMCO-QZTJIDSGSA-N 1 1 433.890 3.274 20 30 IGEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975494 722103573 /nfs/dbraw/zinc/10/35/73/722103573.db2.gz CAHVZDYLRKRHMJ-LPHOPBHVSA-N 1 1 433.890 3.274 20 30 IGEDMO N#Cc1cc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cc(Cl)n1 ZINC001164975680 722115151 /nfs/dbraw/zinc/11/51/51/722115151.db2.gz KGRSXMSKWSBAAG-APWZRJJASA-N 1 1 433.890 3.274 20 30 IGEDMO N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164971878 722121657 /nfs/dbraw/zinc/12/16/57/722121657.db2.gz CYXRLQZVAUZYLU-MSOLQXFVSA-N 1 1 433.890 3.274 20 30 IGEDMO N#Cc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164977303 722154062 /nfs/dbraw/zinc/15/40/62/722154062.db2.gz YLKMBEUGMBEJLU-WZONZLPQSA-N 1 1 444.495 3.137 20 30 IGEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C#N)ccc1NC(=O)C(C)(C)C)C2 ZINC001164810506 720147834 /nfs/dbraw/zinc/14/78/34/720147834.db2.gz JYBMTXAXQZWSSC-HOYKHHGWSA-N 1 1 425.577 3.123 20 30 IGEDMO CCOC(=O)c1cc(C)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1C#N ZINC001164836692 720525039 /nfs/dbraw/zinc/52/50/39/720525039.db2.gz NLENPUTYJSUEAR-XQBPLPMBSA-N 1 1 436.560 3.013 20 30 IGEDMO Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(C#N)c(C)c1Cl ZINC001164748688 720812044 /nfs/dbraw/zinc/81/20/44/720812044.db2.gz QYRGZQXEMIZNDV-NLWGTHIKSA-N 1 1 425.968 3.194 20 30 IGEDMO N#Cc1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl ZINC001164749281 720812186 /nfs/dbraw/zinc/81/21/86/720812186.db2.gz SYBKQYMVTOHCHX-FGTMMUONSA-N 1 1 447.921 3.122 20 30 IGEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742668 720830561 /nfs/dbraw/zinc/83/05/61/720830561.db2.gz QKJSPCQGVMOKPT-KZNAEPCWSA-N 1 1 447.921 3.122 20 30 IGEDMO N#Cc1cnc(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749112 720879025 /nfs/dbraw/zinc/87/90/25/720879025.db2.gz GTUVKLJGAWHAFZ-OFNKIYASSA-N 1 1 438.963 3.152 20 30 IGEDMO N#Cc1ccc([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753340 720888792 /nfs/dbraw/zinc/88/87/92/720888792.db2.gz GREHDZVJRMBNBO-GBXCKJPGSA-N 1 1 448.527 3.012 20 30 IGEDMO Cc1ccc([C@H](C#N)c2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)cc1 ZINC001164867958 721052299 /nfs/dbraw/zinc/05/22/99/721052299.db2.gz LKGMUBGRIMTXBM-HJOGWXRNSA-N 1 1 440.551 3.315 20 30 IGEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc(Cl)c4C#N)C[C@@H]3C2)cn1 ZINC001164761536 721078812 /nfs/dbraw/zinc/07/88/12/721078812.db2.gz BSFNGBMKMLITTF-KBPBESRZSA-N 1 1 441.313 3.497 20 30 IGEDMO Cc1ccc([C@H](C#N)c2ccc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)cc1 ZINC001164767404 721081769 /nfs/dbraw/zinc/08/17/69/721081769.db2.gz LQNZOYFVAKVDQC-ZRBLBEILSA-N 1 1 427.556 3.132 20 30 IGEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(COc5ccc(CC#N)cc5)cn4)C[C@@H]3C2)cn1 ZINC001164767741 721205564 /nfs/dbraw/zinc/20/55/64/721205564.db2.gz KLJOLINASOEKLT-ZEQRLZLVSA-N 1 1 442.567 3.418 20 30 IGEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cnc(Cl)nc4Oc4ccccc4C#N)C[C@H]3C2)cn1 ZINC001164763245 721239629 /nfs/dbraw/zinc/23/96/29/721239629.db2.gz MXECJXCGNOEYTJ-RTBURBONSA-N 1 1 449.946 3.486 20 30 IGEDMO Cc1cnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c(C#C[Si](C)(C)C)c1 ZINC001164893749 721427094 /nfs/dbraw/zinc/42/70/94/721427094.db2.gz KERCKHSCMLXRQR-ZCYQVOJMSA-N 1 1 440.708 3.384 20 30 IGEDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5cccs5)ccc4C#N)C3)O2)CC1 ZINC001164894898 721436231 /nfs/dbraw/zinc/43/62/31/721436231.db2.gz NACNIIUNMVATAZ-RDPSFJRHSA-N 1 1 437.613 3.447 20 30 IGEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164899258 721524140 /nfs/dbraw/zinc/52/41/40/721524140.db2.gz KSYGZSYUCAXCCY-SJLPKXTDSA-N 1 1 444.894 3.264 20 30 IGEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C#N)ccc1NC(=O)C(C)(C)C)C2 ZINC001164810509 720147986 /nfs/dbraw/zinc/14/79/86/720147986.db2.gz JYBMTXAXQZWSSC-KOSHJBKYSA-N 1 1 425.577 3.123 20 30 IGEDMO CCCc1cc(C#N)c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc1Cl ZINC001164814022 720226369 /nfs/dbraw/zinc/22/63/69/720226369.db2.gz RBJJTRLUAYVICO-UHFFFAOYSA-N 1 1 428.968 3.366 20 30 IGEDMO CSc1nc(Cl)c(C#N)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164834945 720505691 /nfs/dbraw/zinc/50/56/91/720505691.db2.gz IOUYQQGQMOBKHL-YQQAZPJKSA-N 1 1 431.997 3.298 20 30 IGEDMO CCOC(=O)c1cc(C)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1C#N ZINC001164836681 720525173 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N#Cc1cc(Cl)c(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740754 720829136 /nfs/dbraw/zinc/82/91/36/720829136.db2.gz LEFMADGQJDKXPV-SOLBZPMBSA-N 1 1 432.359 3.231 20 30 IGEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164859375 720943554 /nfs/dbraw/zinc/94/35/54/720943554.db2.gz NJCASSMCDBGBSP-AWEZNQCLSA-N 1 1 430.940 3.401 20 30 IGEDMO Cc1ccc([C@H](C#N)c2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)cc1 ZINC001164867959 721051368 /nfs/dbraw/zinc/05/13/68/721051368.db2.gz LKGMUBGRIMTXBM-SGNDLWITSA-N 1 1 440.551 3.315 20 30 IGEDMO N#C[C@H](c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nn1)c1ccccc1F ZINC001164863353 721109181 /nfs/dbraw/zinc/10/91/81/721109181.db2.gz CEGUURKEBGDLQL-ONTIZHBOSA-N 1 1 444.514 3.146 20 30 IGEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)ccc2C#N)[C@@H]2CCCO[C@@H]12 ZINC001164802954 721557424 /nfs/dbraw/zinc/55/74/24/721557424.db2.gz IWZROHQPNSCKFN-ZHALLVOQSA-N 1 1 433.890 3.415 20 30 IGEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)ccc2C#N)[C@@H]2CCCO[C@@H]12 ZINC001164802954 721557427 /nfs/dbraw/zinc/55/74/27/721557427.db2.gz IWZROHQPNSCKFN-ZHALLVOQSA-N 1 1 433.890 3.415 20 30 IGEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[C@H]2CCCO[C@H]12 ZINC001164800095 721589070 /nfs/dbraw/zinc/58/90/70/721589070.db2.gz BTCUMUSZNRRMHB-ZDXQCDESSA-N 1 1 444.495 3.278 20 30 IGEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[C@H]2CCCO[C@H]12 ZINC001164800095 721589071 /nfs/dbraw/zinc/58/90/71/721589071.db2.gz BTCUMUSZNRRMHB-ZDXQCDESSA-N 1 1 444.495 3.278 20 30 IGEDMO N#Cc1cc2c(nc1N1CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C1)CCOC2 ZINC001164913997 721731322 /nfs/dbraw/zinc/73/13/22/721731322.db2.gz ZWJQOHKGXLJOAA-QFIPXVFZSA-N 1 1 425.483 3.159 20 30 IGEDMO N#Cc1ccc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164979300 722101740 /nfs/dbraw/zinc/10/17/40/722101740.db2.gz HXQCMRLTGIUMCO-MSOLQXFVSA-N 1 1 433.890 3.274 20 30 IGEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975495 722103400 /nfs/dbraw/zinc/10/34/00/722103400.db2.gz CAHVZDYLRKRHMJ-QFBILLFUSA-N 1 1 433.890 3.274 20 30 IGEDMO N#Cc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164977242 722154207 /nfs/dbraw/zinc/15/42/07/722154207.db2.gz YLKMBEUGMBEJLU-FDDCHVKYSA-N 1 1 444.495 3.137 20 30 IGEDMO N#Cc1cnc2cnc(Cl)cc2c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742795 720815754 /nfs/dbraw/zinc/81/57/54/720815754.db2.gz QZRFLRARDCMEGS-DJPFJPOOSA-N 1 1 448.962 3.126 20 30 IGEDMO COc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1C#N ZINC001164753349 720869915 /nfs/dbraw/zinc/86/99/15/720869915.db2.gz PDYRWMPUNZPOFG-DHLKQENFSA-N 1 1 433.556 3.112 20 30 IGEDMO N#Cc1ccc([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753351 720889220 /nfs/dbraw/zinc/88/92/20/720889220.db2.gz GREHDZVJRMBNBO-YKSBVNFPSA-N 1 1 448.527 3.012 20 30 IGEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C)[C@@H]2C ZINC001164862602 721013772 /nfs/dbraw/zinc/01/37/72/721013772.db2.gz RIDCPBJQCZZEJQ-SJLPKXTDSA-N 1 1 439.564 3.043 20 30 IGEDMO CSc1nc(-c2ccccc2)nc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1C#N ZINC001164765720 721160531 /nfs/dbraw/zinc/16/05/31/721160531.db2.gz KGBOLOGACYRIGA-WOJBJXKFSA-N 1 1 445.596 3.429 20 30 IGEDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc5c(cc4C#N)CCCC5(C)C)C3)O2)CC1 ZINC001164892761 721451216 /nfs/dbraw/zinc/45/12/16/721451216.db2.gz XWNKLQNGSQPYJX-GJZUVCINSA-N 1 1 437.632 3.333 20 30 IGEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccnc(Cl)c2C#N)[C@@H]2CCCO[C@@H]12 ZINC001164807149 721533435 /nfs/dbraw/zinc/53/34/35/721533435.db2.gz PQCMXWPPNJKXNZ-GUDVDZBRSA-N 1 1 433.890 3.415 20 30 IGEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccnc(Cl)c2C#N)[C@@H]2CCCO[C@@H]12 ZINC001164807149 721533437 /nfs/dbraw/zinc/53/34/37/721533437.db2.gz PQCMXWPPNJKXNZ-GUDVDZBRSA-N 1 1 433.890 3.415 20 30 IGEDMO 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