smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCS(=O)(=O)N[C@H](CC#Cc1ccc2nc(C)n(CCC3CC[NH2+]CC3)c(=O)c2c1)C(=O)[O-] ZINC000001540137 561677047 /nfs/dbraw/zinc/67/70/47/561677047.db2.gz VDBHFNUSPLDZQF-HSZRJFAPSA-N 0 0 502.637 2.009 1 30 KEEFRN O=C1c2[nH]cc3c2C(=NCC3)C2=C1NCC[C@@]1([N+](=O)[O-])C=C(Br)C(=O)C(Br)=C21 ZINC000001618508 561677833 /nfs/dbraw/zinc/67/78/33/561677833.db2.gz IZWVESLZBXMYDV-GOSISDBHSA-N 0 0 508.126 2.330 1 30 KEEFRN COc1cc(/C=N/NS(=O)(=O)c2cc(OC)c(NC(C)=O)cc2OC)cc(Br)c1O ZINC000001660563 561679055 /nfs/dbraw/zinc/67/90/55/561679055.db2.gz JTGLLZLWWMLONF-AWQFTUOYSA-N 0 0 502.343 2.451 1 30 KEEFRN CCC[C@@H]([C@@H](CC1CCCCC1)C(=O)N[C@@H](CCCNC(N)=N[N+](=O)[O-])C(=O)Nc1nccs1)N(O)C=O ZINC000003923974 561686263 /nfs/dbraw/zinc/68/62/63/561686263.db2.gz FWJFNXPZKLJJSG-QYZOEREBSA-N 0 0 554.674 2.046 1 30 KEEFRN CCC[C@@H]([C@@H](CC1CCC(C)CC1)C(=O)N[C@@H](CCCNC(N)=N[N+](=O)[O-])C(=O)Nc1nccs1)N(O)C=O ZINC000003923978 561686248 /nfs/dbraw/zinc/68/62/48/561686248.db2.gz LAQQWJARJKOYJJ-PBDJWPIDSA-N 0 0 568.701 2.292 1 30 KEEFRN CC(C)[C@@H]([C@@H](CC1CCC(C)CC1)C(=O)N[C@@H](CCCNC(N)=N[N+](=O)[O-])C(=O)Nc1nccs1)N(O)C=O ZINC000003923979 561686327 /nfs/dbraw/zinc/68/63/27/561686327.db2.gz VNCIHKLPBWTDIP-PBDJWPIDSA-N 0 0 568.701 2.147 1 30 KEEFRN COc1ccc(S(=O)(=O)N2Cc3cc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc3C[C@@H]2C(=O)NO)cc1 ZINC000003939391 561688987 /nfs/dbraw/zinc/68/89/87/561688987.db2.gz PNICWAPKRSLYIU-YCRPNKLZSA-N 0 0 548.618 2.168 1 30 KEEFRN COc1ccccc1CNC(=[NH2+])c1ccc(C2=NO[C@@H](CC(=O)NC[C@H](NS(=O)(=O)c3ccccc3C)C(=O)[O-])C2)cc1 ZINC000003940651 561689359 /nfs/dbraw/zinc/68/93/59/561689359.db2.gz NMLRAHKOBYAMLV-NOZRDPDXSA-N 0 0 607.689 2.340 1 30 KEEFRN C=CCN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)OC)C(C)C)[C@@H](C)CC)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000003946503 561689967 /nfs/dbraw/zinc/68/99/67/561689967.db2.gz SNIZIQRDTSWDJD-DRSPUALDSA-N 0 0 659.825 2.486 1 30 KEEFRN COC(=O)[C@@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C4=CC[C@@H](C)[C@@H](O)[C@@]4(C(=O)OC)O5)c(O)c3C(=O)C1=CC[C@H](C)[C@@H]2O ZINC000005440042 561695972 /nfs/dbraw/zinc/69/59/72/561695972.db2.gz BACCTQITAPHRNM-XIFLZFHVSA-N 0 0 606.580 2.393 1 30 KEEFRN COC(=O)[C@@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C4=CC[C@H](C)[C@@H](O)[C@@]4(C(=O)OC)O5)c(O)c3C(=O)C1=CC[C@H](C)[C@@H]2O ZINC000005440044 561695969 /nfs/dbraw/zinc/69/59/69/561695969.db2.gz BACCTQITAPHRNM-QTCAQZFCSA-N 0 0 606.580 2.393 1 30 KEEFRN COC1(OC)C[C@H](C)[C@@]23O[C@]24c2cc(O)c5c(c2N[C@H]3C#C/C=C\C#C[C@@]41O)C(=O)c1ccccc1C5=O ZINC000005741874 561697971 /nfs/dbraw/zinc/69/79/71/561697971.db2.gz QFEWFWSZRWJSHW-HPCMTVGLSA-N 0 0 509.514 2.263 1 30 KEEFRN CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)n1[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005849239 561699606 /nfs/dbraw/zinc/69/96/06/561699606.db2.gz BOHWTYGHKBIHCI-WTGOJFTASA-N 0 0 608.025 2.413 1 30 KEEFRN C=C1C(=O)O[C@H]2[C@@H]3C(=C)[C@@H](OC(C)=O)C[C@@H]3C(C)=C[C@@H](OC(=O)[C@](C)(OC(C)=O)[C@@H](C)OC(C)=O)[C@@H]12 ZINC000005955789 561700595 /nfs/dbraw/zinc/70/05/95/561700595.db2.gz YGJFGTATQFSXLS-GMOIVDSZSA-N 0 0 504.532 2.353 1 30 KEEFRN C=C1C(=O)O[C@H]2[C@@H]3C(=C)[C@@H](OC(C)=O)C[C@@H]3C(C)=C[C@@H](OC(=O)[C@@](C)(OC(C)=O)[C@@H](C)OC(C)=O)[C@@H]12 ZINC000005955791 561700587 /nfs/dbraw/zinc/70/05/87/561700587.db2.gz YGJFGTATQFSXLS-CDNGAZIASA-N 0 0 504.532 2.353 1 30 KEEFRN C=C1C(=O)O[C@H]2[C@@H]3C(=C)[C@@H](OC(C)=O)C[C@@H]3C(C)=C[C@@H](OC(=O)[C@](C)(OC(C)=O)[C@H](C)OC(C)=O)[C@@H]12 ZINC000005955792 561700609 /nfs/dbraw/zinc/70/06/09/561700609.db2.gz YGJFGTATQFSXLS-KKGZPTCJSA-N 0 0 504.532 2.353 1 30 KEEFRN C=C1C(=O)O[C@H]2[C@@H]3C(=C)[C@@H](OC(C)=O)C[C@@H]3C(C)=C[C@@H](OC(=O)[C@@](C)(OC(C)=O)[C@H](C)OC(C)=O)[C@@H]12 ZINC000005955793 561700593 /nfs/dbraw/zinc/70/05/93/561700593.db2.gz YGJFGTATQFSXLS-VAIHKFQSSA-N 0 0 504.532 2.353 1 30 KEEFRN C=CCNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc(O)c2C)CSC1(C)C ZINC000006717040 561702970 /nfs/dbraw/zinc/70/29/70/561702970.db2.gz LXRNKYYBEZMYNM-ACIOBRDBSA-N 0 0 511.644 2.385 1 30 KEEFRN COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]2C(=CC(=O)[C@H]2CC(=O)C(=O)N(C)C)CN1C(=O)c1ccccc1 ZINC000008020483 561703778 /nfs/dbraw/zinc/70/37/78/561703778.db2.gz PFKKUZJYZMKYPG-ATEJDMMGSA-N 0 0 506.530 2.225 1 30 KEEFRN CC(=O)OC[C@@H]1O[C@H](C/C=N\O[C@@H](C)c2cn([C@H](CO)Cc3ccccc3)nn2)C=C[C@@H]1OC(C)=O ZINC000008035660 561704660 /nfs/dbraw/zinc/70/46/60/561704660.db2.gz NRBQGFPSNHDEQR-OWTDRNCLSA-N 0 0 500.552 2.326 1 30 KEEFRN CC(=O)OC[C@H]1O[C@@H](O/N=C(\C)CCN2CCCc3nc(C)c(C)cc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000008035676 561704642 /nfs/dbraw/zinc/70/46/42/561704642.db2.gz PQFLHSCSVLFDMQ-GZHINXLJSA-N 0 0 577.631 2.317 1 30 KEEFRN COc1cccc([C@H]2Oc3ccc(OC)cc3/C(=N\O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@@H]2O)c1 ZINC000008035715 561704743 /nfs/dbraw/zinc/70/47/43/561704743.db2.gz AJQYLTPCKXXOGQ-AYRAGVBKSA-N 0 0 645.614 2.002 1 30 KEEFRN CCCNC(=O)OC[C@H]1O[C@@H](CCO/N=C2/C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]4C(=O)N(CC)C(=O)[C@H]4CC[C@@H]23)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000008035719 561704751 /nfs/dbraw/zinc/70/47/51/561704751.db2.gz GCQJHYRUQUAJBL-KHMUMUALSA-N 0 0 643.734 2.438 1 30 KEEFRN COC(=O)[C@@H]1OC(=O)[C@H]2O[C@@]23[C@@]1(C)CC[C@H]1[C@]2(C)[C@H](C[C@H](O)[C@]13C)C(C)(C)[C@H](OC(C)=O)C[C@@H]2OC(C)=O ZINC000008214910 560206999 /nfs/dbraw/zinc/20/69/99/560206999.db2.gz HJESSLHNQMBHEX-QOIUVQIYSA-N 0 0 536.618 2.325 1 30 in-vitro KEEFRN COC(=O)[C@@H]1OC(=O)[C@H]2O[C@@]23[C@@]1(C)CC[C@@H]1[C@]2(C)[C@H](C[C@H](O)[C@]13C)C(C)(C)[C@H](OC(C)=O)C[C@@H]2OC(C)=O ZINC000008214911 560207001 /nfs/dbraw/zinc/20/70/01/560207001.db2.gz HJESSLHNQMBHEX-SJWBXZFSSA-N 0 0 536.618 2.325 1 30 in-vitro KEEFRN CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N\CCOC)[C@]2(C)[C@H]2C1=CC[C@H]1C(=O)N(CC(=O)OC)C(=O)[C@H]12 ZINC000008679969 561706857 /nfs/dbraw/zinc/70/68/57/561706857.db2.gz MNLBXASEHNFKPC-XZGHNORZSA-N 0 0 560.604 2.076 1 30 KEEFRN C=CCNC(=O)C(=O)[C@@H](CCC)NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCCO2 ZINC000010743351 561709525 /nfs/dbraw/zinc/70/95/25/561709525.db2.gz YVOANJDXSYMLHZ-DIBLIPFTSA-N 0 0 610.752 2.219 1 30 KEEFRN C=CCNC(=O)C(=O)[C@H](CCC)NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCCO2 ZINC000010743352 561709527 /nfs/dbraw/zinc/70/95/27/561709527.db2.gz YVOANJDXSYMLHZ-COROXYKFSA-N 0 0 610.752 2.219 1 30 KEEFRN CNC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)[C@H](n2cnc3c2nc(Cl)nc3NCc2cccc(I)c2)O1 ZINC000012405879 561710847 /nfs/dbraw/zinc/71/08/47/561710847.db2.gz VCZVXXITTLJVMQ-VEVIJQCQSA-N 0 0 606.830 2.075 1 30 KEEFRN COc1cccc(OC)c1CNC(=O)c1ccc2c(c1)C(=NNc1ccc(S(N)(=O)=O)cc1)C(=O)N2 ZINC000013470466 561713743 /nfs/dbraw/zinc/71/37/43/561713743.db2.gz VVJVXBGHOZRDRF-UHFFFAOYSA-N 0 0 509.544 2.050 1 30 KEEFRN CN1C(=O)N(C[C@@H](CS(=O)(=O)c2ccc(Oc3ccc(C#N)cc3)cc2)N(O)C=O)C(=O)C1(C)C ZINC000013471928 561714050 /nfs/dbraw/zinc/71/40/50/561714050.db2.gz ZAGFXXPMKXEROI-KRWDZBQOSA-N 0 0 500.533 2.013 1 30 KEEFRN CN1C(=O)N(C[C@H](CS(=O)(=O)c2ccc(Oc3ccc(C#N)cc3)cc2)N(O)C=O)C(=O)C1(C)C ZINC000013471929 561714042 /nfs/dbraw/zinc/71/40/42/561714042.db2.gz ZAGFXXPMKXEROI-QGZVFWFLSA-N 0 0 500.533 2.013 1 30 KEEFRN COC(=O)CC[C@H](C(=O)NO)N(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000013535565 561717849 /nfs/dbraw/zinc/71/78/49/561717849.db2.gz TUQCTEPQYAMYIB-GOSISDBHSA-N 0 0 515.382 2.476 1 30 KEEFRN COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCC(=O)NCC(C)C)C(=O)NO)cc1 ZINC000013535596 561717939 /nfs/dbraw/zinc/71/79/39/561717939.db2.gz JDRVPGUNPRZNFR-HXUWFJFHSA-N 0 0 521.592 2.041 1 30 KEEFRN CCN(CC)C(=O)CC[C@H](C(=O)NO)N(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(OC)cc1 ZINC000013535604 561717840 /nfs/dbraw/zinc/71/78/40/561717840.db2.gz LQVBVMXEHQRKTM-HXUWFJFHSA-N 0 0 521.592 2.137 1 30 KEEFRN CC(=O)N1CCN(S(=O)(=O)c2ccc(OCc3ccccc3C(F)(F)F)cc2)[C@@H](C(=O)NO)[C@@H]1C ZINC000013553158 561718306 /nfs/dbraw/zinc/71/83/06/561718306.db2.gz YSMSZPWEAVKTEN-VBKZILBWSA-N 0 0 515.510 2.400 1 30 KEEFRN Cc1ccccc1COc1ccc(S(=O)(=O)N2CCN(C(=O)NC(C)C)[C@@H](C)[C@@H]2C(=O)NO)cc1 ZINC000013553166 561718303 /nfs/dbraw/zinc/71/83/03/561718303.db2.gz GCDCQOTVUSLXRJ-PGRDOPGGSA-N 0 0 504.609 2.261 1 30 KEEFRN COc1ccc([C@H](C(=O)NC(C)(C)C)N2C(=O)[C@H](CS)NC(=O)[C@@H]2Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000013556891 561718848 /nfs/dbraw/zinc/71/88/48/561718848.db2.gz JGCHRDUVHNVKAK-PCCBWWKXSA-N 0 0 514.604 2.427 1 30 KEEFRN COc1ccc([C@@H](C(=O)NC(C)(C)C)N2C(=O)[C@H](CS)NC(=O)[C@@H]2Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000013556893 561718847 /nfs/dbraw/zinc/71/88/47/561718847.db2.gz JGCHRDUVHNVKAK-ACRUOGEOSA-N 0 0 514.604 2.427 1 30 KEEFRN Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(S(C)(=O)=O)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1 ZINC000013587720 561720875 /nfs/dbraw/zinc/72/08/75/561720875.db2.gz WWXZQIVISJRIMS-VXKWHMMOSA-N 0 0 512.588 2.464 1 30 KEEFRN Cn1cncc1CN1C[C@@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21 ZINC000013644649 561722565 /nfs/dbraw/zinc/72/25/65/561722565.db2.gz BRCRPMJRHQPZEZ-NRFANRHFSA-N 0 0 521.647 2.224 1 30 in-vivo KEEFRN Cn1cncc1CN1C[C@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21 ZINC000013644652 561722556 /nfs/dbraw/zinc/72/25/56/561722556.db2.gz BRCRPMJRHQPZEZ-OAQYLSRUSA-N 0 0 521.647 2.224 1 30 in-vivo KEEFRN Cn1cncc1CN1C[C@@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)c2cccnc2)Cc2cc(C#N)ccc21 ZINC000013644655 561722544 /nfs/dbraw/zinc/72/25/44/561722544.db2.gz YCXGDFGCNDASCM-NRFANRHFSA-N 0 0 521.647 2.224 1 30 in-vivo KEEFRN Cn1cncc1CN1C[C@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)c2cccnc2)Cc2cc(C#N)ccc21 ZINC000013644658 561722574 /nfs/dbraw/zinc/72/25/74/561722574.db2.gz YCXGDFGCNDASCM-OAQYLSRUSA-N 0 0 521.647 2.224 1 30 in-vivo KEEFRN Cn1cncc1CN1C[C@@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccncc2)Cc2cc(C#N)ccc21 ZINC000013644661 561722546 /nfs/dbraw/zinc/72/25/46/561722546.db2.gz VXYRLLDULVRHBY-NRFANRHFSA-N 0 0 521.647 2.224 1 30 in-vivo KEEFRN Cn1cncc1CN1C[C@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccncc2)Cc2cc(C#N)ccc21 ZINC000013644665 561722572 /nfs/dbraw/zinc/72/25/72/561722572.db2.gz VXYRLLDULVRHBY-OAQYLSRUSA-N 0 0 521.647 2.224 1 30 in-vivo KEEFRN N#CCNC(=O)C1(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCNCC4)cc3)cc2)CCCCC1 ZINC000013676348 561724169 /nfs/dbraw/zinc/72/41/69/561724169.db2.gz AZNDDHOZPWLFFK-UHFFFAOYSA-N 0 0 509.632 2.020 1 30 KEEFRN CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@H](S)CC(=O)NCC(=O)OC(C)(C)C ZINC000013731963 561725245 /nfs/dbraw/zinc/72/52/45/561725245.db2.gz AUWBKROZIRATNR-HKBOAZHASA-N 0 0 523.696 2.277 1 30 KEEFRN CC(=O)/C=C1/C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(COC(C)=O)CS(=O)(=O)[C@H]12 ZINC000013765856 561728421 /nfs/dbraw/zinc/72/84/21/561728421.db2.gz IPSZASLHUFUKHF-AHBWMYNMSA-N 0 0 509.536 2.249 1 30 KEEFRN CC1(C)Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[C@@H](NC(=NC#N)Nc2ccc(Cl)cc2)[C@@H]1O ZINC000013800717 561730507 /nfs/dbraw/zinc/73/05/07/561730507.db2.gz OVKAKGQKXRHFIY-RTWAWAEBSA-N 0 0 520.011 2.473 1 30 KEEFRN CCCCCCN(C)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)[C@@H](C(=O)NO)C1 ZINC000013804692 561731187 /nfs/dbraw/zinc/73/11/87/561731187.db2.gz QMHSEIOSCQWTPQ-QGZVFWFLSA-N 0 0 505.435 2.262 1 30 KEEFRN CCCCCCN(C)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)[C@H](C(=O)NO)C1 ZINC000013804695 561731166 /nfs/dbraw/zinc/73/11/66/561731166.db2.gz QMHSEIOSCQWTPQ-KRWDZBQOSA-N 0 0 505.435 2.262 1 30 KEEFRN NS(=O)(=O)c1nc2ccc(OCCOS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1 ZINC000013835307 561734315 /nfs/dbraw/zinc/73/43/15/561734315.db2.gz OVEYKEUBLRTYDZ-UHFFFAOYSA-N 0 0 504.436 2.424 1 30 KEEFRN C[C@@H](C(=O)NO)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(I)cc1 ZINC000013840075 561734489 /nfs/dbraw/zinc/73/44/89/561734489.db2.gz UBYOTOVAVIQPPX-NSHDSACASA-N 0 0 505.290 2.284 1 30 KEEFRN C[C@@H](C(=O)NO)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(I)cc1 ZINC000013863157 561734976 /nfs/dbraw/zinc/73/49/76/561734976.db2.gz 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/nfs/dbraw/zinc/95/63/85/561956385.db2.gz NSSDOBPIYFKQCM-UEVCKROQSA-N 0 0 531.679 2.197 1 30 KEEFRN Cc1ccc2ccc(S(=O)(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N3CC[C@H](C(C)C)C[C@@H]3C(=O)[O-])cc2c1 ZINC000028756546 561956387 /nfs/dbraw/zinc/95/63/87/561956387.db2.gz NSSDOBPIYFKQCM-WWPVKYPJSA-N 0 0 531.679 2.197 1 30 KEEFRN Cc1ccc2cc(S(=O)(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N3CC[C@@H](C(C)C)C[C@@H]3C(=O)[O-])ccc2c1 ZINC000028756551 561956417 /nfs/dbraw/zinc/95/64/17/561956417.db2.gz SVBRFRMYQSNZOQ-SXSPYAJSSA-N 0 0 531.679 2.197 1 30 KEEFRN Cc1ccc2cc(S(=O)(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N3CC[C@H](C(C)C)C[C@@H]3C(=O)[O-])ccc2c1 ZINC000028756553 561956367 /nfs/dbraw/zinc/95/63/67/561956367.db2.gz SVBRFRMYQSNZOQ-CDNPAEQRSA-N 0 0 531.679 2.197 1 30 KEEFRN CCC[C@@H]1CCN(C(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)c2ccc3cc(OC)c(OC)cc3c2)[C@@H](C(=O)[O-])C1 ZINC000028756635 561956405 /nfs/dbraw/zinc/95/64/05/561956405.db2.gz USNXCMUUHYZFPI-ZPMCFJSWSA-N 0 0 577.704 2.049 1 30 KEEFRN CCC[C@@H]1CCN(C(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)c2ccc3cc(OC)c(OC)cc3c2)[C@@H](C(=O)[O-])C1 ZINC000028756639 561956392 /nfs/dbraw/zinc/95/63/92/561956392.db2.gz USNXCMUUHYZFPI-VOQZNFBZSA-N 0 0 577.704 2.049 1 30 KEEFRN COc1cc2ccc(S(=O)(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N(CC(=O)[O-])CC3CCCCC3)cc2cc1OC ZINC000028756677 561956380 /nfs/dbraw/zinc/95/63/80/561956380.db2.gz YBQGRLSILNSEAA-QFIPXVFZSA-N 0 0 577.704 2.051 1 30 KEEFRN COc1cc2ccc(S(=O)(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N(CC(=O)[O-])CC3CCCCC3)cc2cc1OC ZINC000028756679 561956403 /nfs/dbraw/zinc/95/64/03/561956403.db2.gz YBQGRLSILNSEAA-JOCHJYFZSA-N 0 0 577.704 2.051 1 30 KEEFRN CCOC(=O)N1CCC([C@H](C(=O)NO)[C@@H](Cc2cccc(O)c2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)CC1 ZINC000028757121 561956733 /nfs/dbraw/zinc/95/67/33/561956733.db2.gz LMEIQGFMYLKIMU-NGSHPTGOSA-N 0 0 525.602 2.316 1 30 KEEFRN COc1cc2ccc(S(=O)(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N(CC(=O)[O-])C3CCCCCC3)cc2cc1OC ZINC000028757885 561957085 /nfs/dbraw/zinc/95/70/85/561957085.db2.gz ZDSLTMJIDWULBB-QFIPXVFZSA-N 0 0 577.704 2.194 1 30 KEEFRN COc1cc2ccc(S(=O)(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N(CC(=O)[O-])C3CCCCCC3)cc2cc1OC ZINC000028757887 561957136 /nfs/dbraw/zinc/95/71/36/561957136.db2.gz ZDSLTMJIDWULBB-JOCHJYFZSA-N 0 0 577.704 2.194 1 30 KEEFRN O[C@@H]1O[C@H](CO/N=C2\CCc3cc(Sc4cc(F)cc(C5CCOCC5)c4)ccc32)[C@H](O)[C@H](O)[C@H]1O ZINC000028759941 561957678 /nfs/dbraw/zinc/95/76/78/561957678.db2.gz SWYQBNLBYJDQNO-RYNMVZKUSA-N 0 0 519.591 2.338 1 30 KEEFRN O[C@H]1[C@@H](CO/N=C2\CCc3cc(Sc4cc(F)cc(C5CCOCC5)c4)ccc32)O[C@H](O)[C@H](O)[C@H]1O ZINC000028759946 561957661 /nfs/dbraw/zinc/95/76/61/561957661.db2.gz SWYQBNLBYJDQNO-DAIVRVDNSA-N 0 0 519.591 2.338 1 30 KEEFRN Cn1cncc1CN1C[C@@H](N(CCCCCC(N)=O)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21 ZINC000028814925 561961597 /nfs/dbraw/zinc/96/15/97/561961597.db2.gz KEMVYOBKWKFWFR-QFIPXVFZSA-N 0 0 521.647 2.355 1 30 KEEFRN Cn1cncc1CN1C[C@H](N(CCCCCC(N)=O)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21 ZINC000028814927 561961632 /nfs/dbraw/zinc/96/16/32/561961632.db2.gz KEMVYOBKWKFWFR-JOCHJYFZSA-N 0 0 521.647 2.355 1 30 KEEFRN COC(=O)NCCCN([C@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1ccccn1 ZINC000028814984 561961892 /nfs/dbraw/zinc/96/18/92/561961892.db2.gz PUUPNSROJRBYRW-NRFANRHFSA-N 0 0 523.619 2.055 1 30 KEEFRN COC(=O)NCCCN([C@@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1ccccn1 ZINC000028814985 561961812 /nfs/dbraw/zinc/96/18/12/561961812.db2.gz PUUPNSROJRBYRW-OAQYLSRUSA-N 0 0 523.619 2.055 1 30 KEEFRN COC(=O)N(C)CCCN([C@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1ccccn1 ZINC000028814987 561961873 /nfs/dbraw/zinc/96/18/73/561961873.db2.gz QHRVZXFQWJGEII-QFIPXVFZSA-N 0 0 537.646 2.397 1 30 KEEFRN COC(=O)N(C)CCCN([C@@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1ccccn1 ZINC000028814988 561961840 /nfs/dbraw/zinc/96/18/40/561961840.db2.gz QHRVZXFQWJGEII-JOCHJYFZSA-N 0 0 537.646 2.397 1 30 KEEFRN COC(=O)NCCCCN([C@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1ccccn1 ZINC000028814989 561961819 /nfs/dbraw/zinc/96/18/19/561961819.db2.gz JODCJEYQZUTHHJ-QFIPXVFZSA-N 0 0 537.646 2.445 1 30 KEEFRN COC(=O)NCCCCN([C@@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1ccccn1 ZINC000028814991 561961887 /nfs/dbraw/zinc/96/18/87/561961887.db2.gz JODCJEYQZUTHHJ-JOCHJYFZSA-N 0 0 537.646 2.445 1 30 KEEFRN Cn1cncc1CN1C[C@@H](N(CCn2cccn2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21 ZINC000028815017 561961993 /nfs/dbraw/zinc/96/19/93/561961993.db2.gz XINDKXHLLNUBLM-QFIPXVFZSA-N 0 0 502.604 2.206 1 30 KEEFRN Cn1cncc1CN1C[C@H](N(CCn2cccn2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21 ZINC000028815019 561961928 /nfs/dbraw/zinc/96/19/28/561961928.db2.gz XINDKXHLLNUBLM-JOCHJYFZSA-N 0 0 502.604 2.206 1 30 KEEFRN Cn1cncc1CN1C[C@@H](N(CCn2ccnc2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21 ZINC000028815021 561961987 /nfs/dbraw/zinc/96/19/87/561961987.db2.gz BXQZQOMDUATPCI-QFIPXVFZSA-N 0 0 502.604 2.206 1 30 KEEFRN Cn1cncc1CN1C[C@H](N(CCn2ccnc2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21 ZINC000028815023 561962014 /nfs/dbraw/zinc/96/20/14/561962014.db2.gz BXQZQOMDUATPCI-JOCHJYFZSA-N 0 0 502.604 2.206 1 30 KEEFRN Cn1cnc(S(=O)(=O)N(CCNC(=O)OC(C)(C)C)[C@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1 ZINC000028815228 561962263 /nfs/dbraw/zinc/96/22/63/561962263.db2.gz DKDYKSPRONDSAX-NRFANRHFSA-N 0 0 554.677 2.172 1 30 KEEFRN Cn1cnc(S(=O)(=O)N(CCNC(=O)OC(C)(C)C)[C@@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1 ZINC000028815230 561962189 /nfs/dbraw/zinc/96/21/89/561962189.db2.gz DKDYKSPRONDSAX-OAQYLSRUSA-N 0 0 554.677 2.172 1 30 KEEFRN COC(=O)N1CCC(CN([C@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)S(=O)(=O)c2cn(C)cn2)CC1 ZINC000028815244 561962182 /nfs/dbraw/zinc/96/21/82/561962182.db2.gz RNJWSXZSDUKQDX-QHCPKHFHSA-N 0 0 566.688 2.126 1 30 KEEFRN COC(=O)N1CCC(CN([C@@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)S(=O)(=O)c2cn(C)cn2)CC1 ZINC000028815246 561962288 /nfs/dbraw/zinc/96/22/88/561962288.db2.gz RNJWSXZSDUKQDX-HSZRJFAPSA-N 0 0 566.688 2.126 1 30 KEEFRN Cc1noc(C)c1CN([C@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1cn(C)cn1 ZINC000028815256 561962255 /nfs/dbraw/zinc/96/22/55/561962255.db2.gz NDRDAJRXYFYGHQ-NRFANRHFSA-N 0 0 520.619 2.453 1 30 KEEFRN Cc1noc(C)c1CN([C@@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1cn(C)cn1 ZINC000028815258 561962220 /nfs/dbraw/zinc/96/22/20/561962220.db2.gz NDRDAJRXYFYGHQ-OAQYLSRUSA-N 0 0 520.619 2.453 1 30 KEEFRN Cn1cnc(S(=O)(=O)N(CCn2cccc2)[C@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1 ZINC000028815260 561962228 /nfs/dbraw/zinc/96/22/28/561962228.db2.gz HCPKZSPEVFPIDH-QFIPXVFZSA-N 0 0 504.620 2.149 1 30 KEEFRN Cn1cnc(S(=O)(=O)N(CCn2cccc2)[C@@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1 ZINC000028815262 561962277 /nfs/dbraw/zinc/96/22/77/561962277.db2.gz HCPKZSPEVFPIDH-JOCHJYFZSA-N 0 0 504.620 2.149 1 30 KEEFRN Cn1cnc(S(=O)(=O)N(Cc2ccccn2)[C@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1 ZINC000028815338 561962392 /nfs/dbraw/zinc/96/23/92/561962392.db2.gz IXQREVNRVNEAJB-QFIPXVFZSA-N 0 0 502.604 2.243 1 30 KEEFRN Cn1cnc(S(=O)(=O)N(Cc2ccccn2)[C@@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1 ZINC000028815339 561962408 /nfs/dbraw/zinc/96/24/08/561962408.db2.gz IXQREVNRVNEAJB-JOCHJYFZSA-N 0 0 502.604 2.243 1 30 KEEFRN Cn1cnc(S(=O)(=O)N(Cc2cccnc2)[C@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1 ZINC000028815343 561962505 /nfs/dbraw/zinc/96/25/05/561962505.db2.gz WNUHIZRRNHAMJC-QFIPXVFZSA-N 0 0 502.604 2.243 1 30 KEEFRN Cn1cnc(S(=O)(=O)N(Cc2cccnc2)[C@@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1 ZINC000028815345 561962534 /nfs/dbraw/zinc/96/25/34/561962534.db2.gz WNUHIZRRNHAMJC-JOCHJYFZSA-N 0 0 502.604 2.243 1 30 KEEFRN COC(=O)c1ccnc(CN([C@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)S(=O)(=O)c2cn(C)cn2)c1 ZINC000028815350 561962501 /nfs/dbraw/zinc/96/25/01/561962501.db2.gz UTODHCTYCLYLCW-QHCPKHFHSA-N 0 0 560.640 2.029 1 30 KEEFRN COC(=O)c1ccnc(CN([C@@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)S(=O)(=O)c2cn(C)cn2)c1 ZINC000028815352 561962526 /nfs/dbraw/zinc/96/25/26/561962526.db2.gz UTODHCTYCLYLCW-HSZRJFAPSA-N 0 0 560.640 2.029 1 30 KEEFRN Cn1cnc(S(=O)(=O)N(Cc2ccc(S(C)(=O)=O)cc2)[C@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1 ZINC000028815358 561962497 /nfs/dbraw/zinc/96/24/97/561962497.db2.gz JKMIFGONFKIMFE-QHCPKHFHSA-N 0 0 579.708 2.251 1 30 KEEFRN Cn1cnc(S(=O)(=O)N(Cc2ccc(S(C)(=O)=O)cc2)[C@@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1 ZINC000028815360 561962588 /nfs/dbraw/zinc/96/25/88/561962588.db2.gz JKMIFGONFKIMFE-HSZRJFAPSA-N 0 0 579.708 2.251 1 30 KEEFRN Cn1cnc(S(=O)(=O)N(Cc2ccc(-n3cncn3)cc2)[C@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1 ZINC000028815367 561962509 /nfs/dbraw/zinc/96/25/09/561962509.db2.gz BXCJXISADOYEEZ-VWLOTQADSA-N 0 0 568.667 2.428 1 30 KEEFRN Cn1cnc(S(=O)(=O)N(Cc2ccc(-n3cncn3)cc2)[C@@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1 ZINC000028815369 561962583 /nfs/dbraw/zinc/96/25/83/561962583.db2.gz BXCJXISADOYEEZ-RUZDIDTESA-N 0 0 568.667 2.428 1 30 KEEFRN Cn1cnc(S(=O)(=O)N(Cc2ccc3nonc3c2)[C@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1 ZINC000028815383 561962531 /nfs/dbraw/zinc/96/25/31/561962531.db2.gz GVIPMHKRBSJBOF-NRFANRHFSA-N 0 0 543.613 2.384 1 30 KEEFRN Cn1cnc(S(=O)(=O)N(Cc2ccc3nonc3c2)[C@@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1 ZINC000028815385 561962600 /nfs/dbraw/zinc/96/26/00/561962600.db2.gz GVIPMHKRBSJBOF-OAQYLSRUSA-N 0 0 543.613 2.384 1 30 KEEFRN Cn1cnc(S(=O)(=O)N(CCOc2cccc3c2OCCO3)[C@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1 ZINC000028815424 561962642 /nfs/dbraw/zinc/96/26/42/561962642.db2.gz AZXAOIKWCNDFBT-QHCPKHFHSA-N 0 0 589.678 2.498 1 30 KEEFRN Cn1cnc(S(=O)(=O)N(CCOc2cccc3c2OCCO3)[C@@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1 ZINC000028815426 561962663 /nfs/dbraw/zinc/96/26/63/561962663.db2.gz AZXAOIKWCNDFBT-HSZRJFAPSA-N 0 0 589.678 2.498 1 30 KEEFRN Cn1cnc(S(=O)(=O)N(Cc2ccc3c(c2)OCCS3(=O)=O)[C@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1 ZINC000028815440 561962713 /nfs/dbraw/zinc/96/27/13/561962713.db2.gz XUCHSFLLNVUBSK-QHCPKHFHSA-N 0 0 607.718 2.014 1 30 KEEFRN Cn1cnc(S(=O)(=O)N(Cc2ccc3c(c2)OCCS3(=O)=O)[C@@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1 ZINC000028815442 561962646 /nfs/dbraw/zinc/96/26/46/561962646.db2.gz XUCHSFLLNVUBSK-HSZRJFAPSA-N 0 0 607.718 2.014 1 30 KEEFRN CCS(=O)(=O)N1CCC(CN([C@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)S(=O)(=O)c2ccccn2)CC1 ZINC000028815610 561962999 /nfs/dbraw/zinc/96/29/99/561962999.db2.gz RBPBWRGVHXDSDO-VWLOTQADSA-N 0 0 597.767 2.371 1 30 KEEFRN CCS(=O)(=O)N1CCC(CN([C@@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)S(=O)(=O)c2ccccn2)CC1 ZINC000028815612 561962993 /nfs/dbraw/zinc/96/29/93/561962993.db2.gz RBPBWRGVHXDSDO-RUZDIDTESA-N 0 0 597.767 2.371 1 30 KEEFRN Cn1cnc(S(=O)(=O)N2CCC(CN([C@H]3Cc4cc(C#N)ccc4N(Cc4cncn4C)C3)S(=O)(=O)c3ccccn3)CC2)c1 ZINC000028815633 561962989 /nfs/dbraw/zinc/96/29/89/561962989.db2.gz ARIBZMNLAPCZRM-SANMLTNESA-N 0 0 649.803 2.143 1 30 KEEFRN Cn1cnc(S(=O)(=O)N2CCC(CN([C@@H]3Cc4cc(C#N)ccc4N(Cc4cncn4C)C3)S(=O)(=O)c3ccccn3)CC2)c1 ZINC000028815635 561962918 /nfs/dbraw/zinc/96/29/18/561962918.db2.gz ARIBZMNLAPCZRM-AREMUKBSSA-N 0 0 649.803 2.143 1 30 KEEFRN COC(=O)N1CCC(CN([C@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)S(=O)(=O)c2cncn2C)CC1 ZINC000028815687 561963072 /nfs/dbraw/zinc/96/30/72/561963072.db2.gz FGRXOXYZOVUHMP-QHCPKHFHSA-N 0 0 566.688 2.126 1 30 KEEFRN COC(=O)N1CCC(CN([C@@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)S(=O)(=O)c2cncn2C)CC1 ZINC000028815690 561963114 /nfs/dbraw/zinc/96/31/14/561963114.db2.gz FGRXOXYZOVUHMP-HSZRJFAPSA-N 0 0 566.688 2.126 1 30 KEEFRN COC(=O)N1CCC(CN([C@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)S(=O)(=O)c2nccn2C)CC1 ZINC000028815693 561963090 /nfs/dbraw/zinc/96/30/90/561963090.db2.gz RFDJXPUYYUKHEK-QHCPKHFHSA-N 0 0 566.688 2.126 1 30 KEEFRN COC(=O)N1CCC(CN([C@@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)S(=O)(=O)c2nccn2C)CC1 ZINC000028815695 561963086 /nfs/dbraw/zinc/96/30/86/561963086.db2.gz RFDJXPUYYUKHEK-HSZRJFAPSA-N 0 0 566.688 2.126 1 30 KEEFRN COC(=O)N1CCC(CN([C@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000028815697 561963106 /nfs/dbraw/zinc/96/31/06/561963106.db2.gz MRTIOCFLJIEKLR-DEOSSOPVSA-N 0 0 580.715 2.434 1 30 KEEFRN COC(=O)N1CCC(CN([C@@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000028815699 561963074 /nfs/dbraw/zinc/96/30/74/561963074.db2.gz MRTIOCFLJIEKLR-XMMPIXPASA-N 0 0 580.715 2.434 1 30 KEEFRN COC(=O)N1CCC(CN([C@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)S(=O)(=O)c2cnn(C)c2)CC1 ZINC000028815726 561963189 /nfs/dbraw/zinc/96/31/89/561963189.db2.gz IBDFAKXGYYOCBA-QHCPKHFHSA-N 0 0 566.688 2.126 1 30 KEEFRN COC(=O)N1CCC(CN([C@@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)S(=O)(=O)c2cnn(C)c2)CC1 ZINC000028815728 561963265 /nfs/dbraw/zinc/96/32/65/561963265.db2.gz IBDFAKXGYYOCBA-HSZRJFAPSA-N 0 0 566.688 2.126 1 30 KEEFRN CCS(=O)(=O)N(CC1CCN(C(=O)OC)CC1)[C@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1 ZINC000028815739 561963230 /nfs/dbraw/zinc/96/32/30/561963230.db2.gz AACQIBKRHKPACE-QFIPXVFZSA-N 0 0 514.652 2.353 1 30 KEEFRN CCS(=O)(=O)N(CC1CCN(C(=O)OC)CC1)[C@@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1 ZINC000028815742 561963214 /nfs/dbraw/zinc/96/32/14/561963214.db2.gz AACQIBKRHKPACE-JOCHJYFZSA-N 0 0 514.652 2.353 1 30 KEEFRN COC(=O)N1CCC(CN([C@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)S(=O)(=O)C2CC2)CC1 ZINC000028815754 561963271 /nfs/dbraw/zinc/96/32/71/561963271.db2.gz RISDQQGIMLSKJV-QFIPXVFZSA-N 0 0 526.663 2.496 1 30 KEEFRN COC(=O)N1CCC(CN([C@@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)S(=O)(=O)C2CC2)CC1 ZINC000028815756 561963234 /nfs/dbraw/zinc/96/32/34/561963234.db2.gz RISDQQGIMLSKJV-JOCHJYFZSA-N 0 0 526.663 2.496 1 30 KEEFRN Cn1cncc1CN1C[C@@H](N(Cc2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2cncn2C)Cc2cc(C#N)ccc21 ZINC000028815866 561963470 /nfs/dbraw/zinc/96/34/70/561963470.db2.gz ZAAMYHSBBOSYGG-QHCPKHFHSA-N 0 0 579.708 2.251 1 30 KEEFRN Cn1cncc1CN1C[C@H](N(Cc2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2cncn2C)Cc2cc(C#N)ccc21 ZINC000028815868 561963442 /nfs/dbraw/zinc/96/34/42/561963442.db2.gz ZAAMYHSBBOSYGG-HSZRJFAPSA-N 0 0 579.708 2.251 1 30 KEEFRN Cc1oncc1S(=O)(=O)N(CC(=O)NC(C)(C)C)[C@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1 ZINC000028815886 561963452 /nfs/dbraw/zinc/96/34/52/561963452.db2.gz FSWQYTBZGPPALK-FQEVSTJZSA-N 0 0 525.635 2.125 1 30 KEEFRN Cc1oncc1S(=O)(=O)N(CC(=O)NC(C)(C)C)[C@@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1 ZINC000028815888 561963431 /nfs/dbraw/zinc/96/34/31/561963431.db2.gz FSWQYTBZGPPALK-HXUWFJFHSA-N 0 0 525.635 2.125 1 30 KEEFRN Cn1cncc1CN1C[C@@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)Cc2cc(C#N)ccc21 ZINC000028815902 561963628 /nfs/dbraw/zinc/96/36/28/561963628.db2.gz KZMSKKQXTIUMKV-QHCPKHFHSA-N 0 0 617.732 2.066 1 30 KEEFRN Cn1cncc1CN1C[C@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)Cc2cc(C#N)ccc21 ZINC000028815904 561963588 /nfs/dbraw/zinc/96/35/88/561963588.db2.gz KZMSKKQXTIUMKV-HSZRJFAPSA-N 0 0 617.732 2.066 1 30 KEEFRN COC(=O)N1CCC(CN([C@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)S(=O)(=O)c2ncn(C)c2C)CC1 ZINC000028815910 561963602 /nfs/dbraw/zinc/96/36/02/561963602.db2.gz FHGNILPDOAHHTJ-DEOSSOPVSA-N 0 0 580.715 2.434 1 30 KEEFRN COC(=O)N1CCC(CN([C@@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)S(=O)(=O)c2ncn(C)c2C)CC1 ZINC000028815912 561963687 /nfs/dbraw/zinc/96/36/87/561963687.db2.gz FHGNILPDOAHHTJ-XMMPIXPASA-N 0 0 580.715 2.434 1 30 KEEFRN CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)NO)CCN(S(=O)(=O)CC3CCCCC3)CC2)cc1 ZINC000028816869 561964353 /nfs/dbraw/zinc/96/43/53/561964353.db2.gz DKLKUPISRVEUAG-UHFFFAOYSA-N 0 0 526.677 2.360 1 30 KEEFRN CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)NO)CCN(S(=O)(=O)C3CCCCC3)CC2)cc1 ZINC000028816882 561964345 /nfs/dbraw/zinc/96/43/45/561964345.db2.gz KVLYVSHQXNTARE-UHFFFAOYSA-N 0 0 512.650 2.113 1 30 KEEFRN NC(N)=NC(=O)c1ccc(CSc2ccc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)c(S(N)(=O)=O)c1 ZINC000028819125 561965547 /nfs/dbraw/zinc/96/55/47/561965547.db2.gz FEGSNLYOSAMGCT-UHFFFAOYSA-N 0 0 525.572 2.491 1 30 KEEFRN Cn1cc(S(=O)(=O)N(Cc2ccc(S(C)(=O)=O)cc2)[C@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)cn1 ZINC000028821879 561966586 /nfs/dbraw/zinc/96/65/86/561966586.db2.gz QAUGMEVQUNUKDU-QHCPKHFHSA-N 0 0 579.708 2.251 1 30 KEEFRN Cn1cc(S(=O)(=O)N(Cc2ccc(S(C)(=O)=O)cc2)[C@@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)cn1 ZINC000028821880 561966552 /nfs/dbraw/zinc/96/65/52/561966552.db2.gz QAUGMEVQUNUKDU-HSZRJFAPSA-N 0 0 579.708 2.251 1 30 KEEFRN CC(C)(C)c1csc(NC(=O)c2ccn3c(c2)nc(N2CCC[C@@H](OC(=O)NCC[N+](C)(C)CC(=O)[O-])C2)c(C=Cc2nn[nH]n2)c3=O)n1 ZINC000028874168 561975043 /nfs/dbraw/zinc/97/50/43/561975043.db2.gz RVJNIKFVEAWLQC-HXUWFJFHSA-O 0 0 694.799 2.240 1 30 in-vitro KEEFRN CC(C)(C)c1csc(NC(=O)c2ccn3c(c2)nc(N2CCC[C@@H](CC(=O)NCC[N+](C)(C)CC(=O)[O-])C2)c(C=Cc2nn[nH]n2)c3=O)n1 ZINC000028874180 561975095 /nfs/dbraw/zinc/97/50/95/561975095.db2.gz QWFJRLBPTOAJDW-FQEVSTJZSA-O 0 0 692.827 2.268 1 30 KEEFRN CC(C)(C)c1csc(NC(=O)c2ccn3c(c2)nc(N2CCC/C(=C\C(=O)NCC[N+](C)(C)CC(=O)[O-])C2)c(C=Cc2nn[nH]n2)c3=O)n1 ZINC000028874185 561975083 /nfs/dbraw/zinc/97/50/83/561975083.db2.gz SPBOTJGGDWYGAD-HMMYKYKNSA-O 0 0 690.811 2.188 1 30 KEEFRN CC(C)(C)c1csc(NC(=O)c2ccn3c(c2)nc(N2CCC(OC(=O)NCC[N+](C)(C)CC(=O)[O-])CC2)c(C=Cc2nn[nH]n2)c3=O)n1 ZINC000028874188 561975059 /nfs/dbraw/zinc/97/50/59/561975059.db2.gz IAMMBYNZIOODOG-UHFFFAOYSA-O 0 0 694.799 2.240 1 30 KEEFRN CC(=O)O[C@@H]1C2=C(C)C(=O)C[C@@H]([C@@H](OC(=O)c3ccccc3)[C@H]3[C@@](C)(CC[C@H](O)[C@@]3(O)CO)C1=O)C2(C)C ZINC000028880771 561976909 /nfs/dbraw/zinc/97/69/09/561976909.db2.gz ITCWBONKOGZDOX-GOEVZRSKSA-N 0 0 528.598 2.159 1 30 KEEFRN C[C@]1(CCCO)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O ZINC000028882737 561977257 /nfs/dbraw/zinc/97/72/57/561977257.db2.gz AZVSYHOGIXLMKS-QFIPXVFZSA-N 0 0 505.574 2.153 1 30 KEEFRN C[C@@]1(CCCO)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O ZINC000028882743 561977214 /nfs/dbraw/zinc/97/72/14/561977214.db2.gz AZVSYHOGIXLMKS-JOCHJYFZSA-N 0 0 505.574 2.153 1 30 KEEFRN COc1ccc(OCCC#Cc2cn([C@H]3C=C[C@H](CO)O3)c(=O)[nH]c2=O)c(CCNC(=S)Nc2ccc(Br)cn2)c1 ZINC000028888916 561978046 /nfs/dbraw/zinc/97/80/46/561978046.db2.gz VSWOHFICCONYJI-RCZVLFRGSA-N 0 0 642.532 2.498 1 30 KEEFRN COc1ccc(OCCC#Cc2cn([C@@H]3C=C[C@H](CO)O3)c(=O)[nH]c2=O)c(CCNC(=S)Nc2ccc(Br)cn2)c1 ZINC000028888922 561978052 /nfs/dbraw/zinc/97/80/52/561978052.db2.gz VSWOHFICCONYJI-RDGATRHJSA-N 0 0 642.532 2.498 1 30 KEEFRN COc1ccc(OCCC#Cc2cn([C@H]3C=C[C@@H](CO)O3)c(=O)[nH]c2=O)c(CCNC(=S)Nc2ccc(Br)cn2)c1 ZINC000028888930 561978060 /nfs/dbraw/zinc/97/80/60/561978060.db2.gz VSWOHFICCONYJI-WIOPSUGQSA-N 0 0 642.532 2.498 1 30 KEEFRN COc1ccc(OCCC#Cc2cn([C@@H]3C=C[C@@H](CO)O3)c(=O)[nH]c2=O)c(CCNC(=S)Nc2ccc(Br)cn2)c1 ZINC000028888937 561978037 /nfs/dbraw/zinc/97/80/37/561978037.db2.gz VSWOHFICCONYJI-DHLKQENFSA-N 0 0 642.532 2.498 1 30 KEEFRN C=CCOC(=O)OCOP(=O)(COCCn1cnc2c1ncnc2N)OCOC(=O)OCC=C ZINC000028958240 561983712 /nfs/dbraw/zinc/98/37/12/561983712.db2.gz OGHFILGQYUIQAK-UHFFFAOYSA-N 0 0 501.389 2.202 1 30 KEEFRN COC(=O)C1CCC(CN([C@@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2=O)S(=O)(=O)c2cn(C)cn2)CC1 ZINC000028965367 561984906 /nfs/dbraw/zinc/98/49/06/561984906.db2.gz NHZIJALXHQIHRD-BPOAOHNVSA-N 0 0 579.683 2.153 1 30 KEEFRN COC(=O)C1CCC(CN([C@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2=O)S(=O)(=O)c2cn(C)cn2)CC1 ZINC000028965372 561984878 /nfs/dbraw/zinc/98/48/78/561984878.db2.gz NHZIJALXHQIHRD-AJPKXHFHSA-N 0 0 579.683 2.153 1 30 KEEFRN Cn1cnc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2=O)c1 ZINC000028965428 561984935 /nfs/dbraw/zinc/98/49/35/561984935.db2.gz OKGDKJQQTNVMRH-XMMPIXPASA-N 0 0 515.599 2.374 1 30 KEEFRN Cn1cnc(S(=O)(=O)N(Cc2ccccc2)[C@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2=O)c1 ZINC000028965433 561984849 /nfs/dbraw/zinc/98/48/49/561984849.db2.gz OKGDKJQQTNVMRH-DEOSSOPVSA-N 0 0 515.599 2.374 1 30 KEEFRN Cn1cnc(S(=O)(=O)N(Cc2ccc(C#N)cc2)[C@@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2=O)c1 ZINC000028965438 561984890 /nfs/dbraw/zinc/98/48/90/561984890.db2.gz GIQDXFJTEVOMSR-RUZDIDTESA-N 0 0 540.609 2.246 1 30 KEEFRN Cn1cnc(S(=O)(=O)N(Cc2ccc(C#N)cc2)[C@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2=O)c1 ZINC000028965444 561984919 /nfs/dbraw/zinc/98/49/19/561984919.db2.gz GIQDXFJTEVOMSR-VWLOTQADSA-N 0 0 540.609 2.246 1 30 KEEFRN Cn1cnc(S(=O)(=O)N(CC(=O)c2ccsc2)[C@@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2=O)c1 ZINC000028965489 561985023 /nfs/dbraw/zinc/98/50/23/561985023.db2.gz ABJLNLXGAVKMRM-JOCHJYFZSA-N 0 0 549.638 2.118 1 30 KEEFRN Cn1cnc(S(=O)(=O)N(CC(=O)c2ccsc2)[C@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2=O)c1 ZINC000028965495 561985025 /nfs/dbraw/zinc/98/50/25/561985025.db2.gz ABJLNLXGAVKMRM-QFIPXVFZSA-N 0 0 549.638 2.118 1 30 KEEFRN Cn1cncc1CN1c2ccc(C#N)cc2C[C@H](N(Cc2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccn2)C1=O ZINC000028965533 561985037 /nfs/dbraw/zinc/98/50/37/561985037.db2.gz INQBACJESVBYKR-SANMLTNESA-N 0 0 590.687 2.439 1 30 KEEFRN Cn1cncc1CN1c2ccc(C#N)cc2C[C@@H](N(Cc2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccn2)C1=O ZINC000028965537 561985011 /nfs/dbraw/zinc/98/50/11/561985011.db2.gz INQBACJESVBYKR-AREMUKBSSA-N 0 0 590.687 2.439 1 30 KEEFRN Cn1cncc1CN1c2ccc(C#N)cc2C[C@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)c2cccc(F)c2)C1=O ZINC000028965565 561985039 /nfs/dbraw/zinc/98/50/39/561985039.db2.gz ZGMDLDYUEMBFOJ-DEOSSOPVSA-N 0 0 552.632 2.494 1 30 KEEFRN Cn1cncc1CN1c2ccc(C#N)cc2C[C@@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)c2cccc(F)c2)C1=O ZINC000028965571 561985043 /nfs/dbraw/zinc/98/50/43/561985043.db2.gz ZGMDLDYUEMBFOJ-XMMPIXPASA-N 0 0 552.632 2.494 1 30 KEEFRN CS(=O)(=O)N(C[C@@H](C(=O)NO)N1CCOCC1)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC000029039852 561990238 /nfs/dbraw/zinc/99/02/38/561990238.db2.gz HMSHXTUFXMZOJG-IBGZPJMESA-N 0 0 503.499 2.470 1 30 KEEFRN Cc1ccccc1C1CCN(S(=O)(=O)CC2(C(=O)NO)CCN(C(=O)O[C@H]3CCOC3)CC2)CC1 ZINC000029039864 561990193 /nfs/dbraw/zinc/99/01/93/561990193.db2.gz OJSMIPQPXMBSTI-FQEVSTJZSA-N 0 0 509.625 2.017 1 30 KEEFRN CC(=O)N1CCN([C@@H](CN(c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)S(C)(=O)=O)C(=O)NO)CC1 ZINC000029039868 561990228 /nfs/dbraw/zinc/99/02/28/561990228.db2.gz ZJGVSDUUDCVLEO-NRFANRHFSA-N 0 0 544.552 2.302 1 30 KEEFRN Cc1cc(F)ccc1C1CCN(S(=O)(=O)CC2(C(=O)NO)CCN(C(=O)O[C@H]3CCOC3)CC2)CC1 ZINC000029039878 561990276 /nfs/dbraw/zinc/99/02/76/561990276.db2.gz QVJFNCBRJKNUCE-FQEVSTJZSA-N 0 0 527.615 2.156 1 30 KEEFRN Cc1cc(C2CCN(S(=O)(=O)CC3(C(=O)NO)CCN(C(=O)O[C@H]4CCOC4)CC3)CC2)cc(C)c1C#N ZINC000029039910 561990245 /nfs/dbraw/zinc/99/02/45/561990245.db2.gz REAAGXUAXYMPTM-QFIPXVFZSA-N 0 0 548.662 2.197 1 30 KEEFRN Cc1cc(C)cc(C2CCN(S(=O)(=O)CC3(C(=O)NO)CCN(C(=O)O[C@H]4CCOC4)CC3)CC2)c1 ZINC000029039919 561990199 /nfs/dbraw/zinc/99/01/99/561990199.db2.gz ANOPQMHOFNTJCB-QFIPXVFZSA-N 0 0 523.652 2.326 1 30 KEEFRN Cc1ccccc1C1CCN(S(=O)(=O)CC2(C(=O)NO)CCN(C(=O)O[C@@]3(C)CCOC3)CC2)CC1 ZINC000029040043 561990377 /nfs/dbraw/zinc/99/03/77/561990377.db2.gz CTRWITLGGIGPOB-DEOSSOPVSA-N 0 0 523.652 2.407 1 30 KEEFRN Cc1ccccc1C1CCN(S(=O)(=O)CC2(C(=O)NO)CCN(C(=O)O[C@]3(C)CCOC3)CC2)CC1 ZINC000029040046 561990440 /nfs/dbraw/zinc/99/04/40/561990440.db2.gz CTRWITLGGIGPOB-XMMPIXPASA-N 0 0 523.652 2.407 1 30 KEEFRN Cc1ccccc1C1CCN(S(=O)(=O)CC2(C(=O)NO)CCN(C(=O)O[C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000029040077 561990355 /nfs/dbraw/zinc/99/03/55/561990355.db2.gz JRYQAIVHIZIBOQ-FCHUYYIVSA-N 0 0 523.652 2.142 1 30 in-vitro KEEFRN Cc1ccccc1C1CCN(S(=O)(=O)CC2(C(=O)NO)CCN(C(=O)O[C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000029040079 561990430 /nfs/dbraw/zinc/99/04/30/561990430.db2.gz JRYQAIVHIZIBOQ-VXKWHMMOSA-N 0 0 523.652 2.142 1 30 in-vitro KEEFRN Cc1ccccc1C1CCN(S(=O)(=O)CC2(C(=O)NO)CCN(C(=O)O[C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000029040081 561990406 /nfs/dbraw/zinc/99/04/06/561990406.db2.gz JRYQAIVHIZIBOQ-FGZHOGPDSA-N 0 0 523.652 2.142 1 30 in-vitro KEEFRN Cc1ccccc1C1CCN(S(=O)(=O)CC2(C(=O)NO)CCN(C(=O)O[C@H]3CCC[C@H]3O)CC2)CC1 ZINC000029040084 561990411 /nfs/dbraw/zinc/99/04/11/561990411.db2.gz JRYQAIVHIZIBOQ-YADHBBJMSA-N 0 0 523.652 2.142 1 30 in-vitro KEEFRN CC(=O)Nc1cc(C(=O)Nc2cc(C(=O)N(C)CCCCCNC(=O)N3C(=O)[C@@H]4CC#C/C=C\C#C[C@@H](OC(C)=O)[C@H]43)n(C)c2)n(C)c1 ZINC000029063494 561996276 /nfs/dbraw/zinc/99/62/76/561996276.db2.gz CJOMMBRXGZQUJV-OVJSLGHCSA-N 0 0 657.728 2.252 1 30 KEEFRN C#CCOc1ccc(CCNC(=O)[C@@H](NS(=O)(=O)N(C)C)c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000029126329 561998509 /nfs/dbraw/zinc/99/85/09/561998509.db2.gz RSKBKAHHTVOGJN-NRFANRHFSA-N 0 0 529.537 2.402 1 30 KEEFRN C#CCOc1ccc(CCNC(=O)[C@H](NS(=O)(=O)N(C)C)c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000029126330 561998567 /nfs/dbraw/zinc/99/85/67/561998567.db2.gz RSKBKAHHTVOGJN-OAQYLSRUSA-N 0 0 529.537 2.402 1 30 KEEFRN C#CCOc1ccc(CCNC(=O)[C@@H](NS(=O)(=O)N(C)C)c2ccc(Br)cc2)cc1OC ZINC000029126714 561998934 /nfs/dbraw/zinc/99/89/34/561998934.db2.gz VYQRXRSKBVMDIE-NRFANRHFSA-N 0 0 524.437 2.266 1 30 KEEFRN C#CCOc1ccc(CCNC(=O)[C@H](NS(=O)(=O)N(C)C)c2ccc(Br)cc2)cc1OC ZINC000029126715 561998907 /nfs/dbraw/zinc/99/89/07/561998907.db2.gz VYQRXRSKBVMDIE-OAQYLSRUSA-N 0 0 524.437 2.266 1 30 KEEFRN C=CCNC(=O)[C@@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)c2ccccc2)C(C)(C)C)CSC1(C)C ZINC000029129779 562002139 /nfs/dbraw/zinc/00/21/39/562002139.db2.gz RQSIFMAUBPDWHU-CNXZJCAJSA-N 0 0 665.857 2.465 1 30 KEEFRN C=CCNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)c2ccccc2)C(C)(C)C)CSC1(C)C ZINC000029129781 562002102 /nfs/dbraw/zinc/00/21/02/562002102.db2.gz RQSIFMAUBPDWHU-OTJWULCMSA-N 0 0 665.857 2.465 1 30 KEEFRN O=C(CCCCCC(=O)N(CC(=O)Nc1ccc2n[nH]cc2c1)CC(=O)Nc1ccc2n[nH]cc2c1)NO ZINC000029133404 562003658 /nfs/dbraw/zinc/00/36/58/562003658.db2.gz RXZWNENIWFABET-UHFFFAOYSA-N 0 0 520.550 2.301 1 30 KEEFRN CCN(CCN(C)C)CC1=C2C(=O)C(=O)C3=C([C@H](OC(C)=O)C[C@@]4(C)[C@H]3CC[C@@H]4O)[C@@]2(C)[C@@H](COC)OC1=O ZINC000029134221 562003963 /nfs/dbraw/zinc/00/39/63/562003963.db2.gz KPOSRIIDGPWYJV-DATHZOKXSA-N 0 0 546.661 2.136 1 30 KEEFRN COC[C@H]1OC(=O)C(CN2CCC(C(=O)OC)CC2)=C2C(=O)C(=O)C3=C([C@H](OC(C)=O)C[C@@]4(C)[C@H]3CC[C@@H]4O)[C@]21C ZINC000029134621 562004227 /nfs/dbraw/zinc/00/42/27/562004227.db2.gz ORVMTYASJRFINM-WAVMTNIYSA-N 0 0 573.639 2.137 1 30 KEEFRN COC[C@H]1OC(=O)C(CN2CCCC2)=C2C(=O)C(=O)C3=C([C@H](OC(C)=O)C[C@@]4(C)[C@H]3CC[C@@H]4O)[C@]21C ZINC000029134626 562004233 /nfs/dbraw/zinc/00/42/33/562004233.db2.gz OKPJBIIWOHCTOK-DROVPKGLSA-N 0 0 501.576 2.348 1 30 KEEFRN C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)OCC ZINC000029203257 562004808 /nfs/dbraw/zinc/00/48/08/562004808.db2.gz AEIQMTCHERRLBO-GSDHBNRESA-N 0 0 670.776 2.048 1 30 KEEFRN CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)CCCCO[C@H](C(=O)NO)[C@@H](CCCc2ccccc2)C(=O)N1 ZINC000029227584 562008624 /nfs/dbraw/zinc/00/86/24/562008624.db2.gz KXPIKWNUKVNKRA-ZNZIZOMTSA-N 0 0 588.727 2.012 1 30 KEEFRN O=C1c2cccc(OS(=O)(=O)c3ccc(I)cc3)c2C(=O)C(N2CC2)=C1N1CC1 ZINC000029239392 562010041 /nfs/dbraw/zinc/01/00/41/562010041.db2.gz OGAGRYODOGXKAL-UHFFFAOYSA-N 0 0 522.320 2.281 1 30 KEEFRN C=C1[C@H]2[C@H](OC(C)=O)[C@@H]3C[C@H](O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)C[C@@H]1O)C3(C)C ZINC000029329856 562013759 /nfs/dbraw/zinc/01/37/59/562013759.db2.gz FUBMOVYEQAHKMA-WDKHEYHYSA-N 0 0 536.618 2.394 1 30 biogenic,in-vitro KEEFRN NC(N)=NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 ZINC000029480740 562027239 /nfs/dbraw/zinc/02/72/39/562027239.db2.gz QDLLFRHBOIEMNU-DQEYMECFSA-N 0 0 592.678 2.116 1 30 KEEFRN NC(N)=NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 ZINC000029480743 562027241 /nfs/dbraw/zinc/02/72/41/562027241.db2.gz QDLLFRHBOIEMNU-LOSJGSFVSA-N 0 0 592.678 2.116 1 30 KEEFRN CCOc1cc(COc2ccc3c(c2)NCCN([C@H](CCC(=O)OC)C(=O)NO)S3(=O)=O)cc(OCC)c1 ZINC000029488588 562028996 /nfs/dbraw/zinc/02/89/96/562028996.db2.gz HTAGYDAMQNRLDD-JOCHJYFZSA-N 0 0 551.618 2.306 1 30 KEEFRN C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@H](OC(=O)CN1CCC(NC(=O)c3ccccc3)CC1)[C@H](O)[C@@H]1C(C)(C)CC[C@H](O)[C@@]12C ZINC000029489895 562029189 /nfs/dbraw/zinc/02/91/89/562029189.db2.gz OMQASXKCULBRDM-ZZONUEBLSA-N 0 0 612.764 2.394 1 30 KEEFRN C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@H](OC(=O)CN1CCC(O)(c3ccccc3)CC1)[C@H](O)[C@@H]1C(C)(C)CC[C@H](O)[C@@]12C ZINC000029545953 562029855 /nfs/dbraw/zinc/02/98/55/562029855.db2.gz NDSWYRQUWMTDRN-JKVDNKOTSA-N 0 0 585.738 2.484 1 30 KEEFRN C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@H](O)[C@H](OC(=O)CNCc1ccccc1)[C@@H]1C(C)(C)CC[C@H](O)[C@@]12C ZINC000029546755 562030056 /nfs/dbraw/zinc/03/00/56/562030056.db2.gz FISSEVWJWCJTQL-OJNHPKAKSA-N 0 0 515.647 2.290 1 30 KEEFRN C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@H](O)[C@H](OC(=O)CN1CCCCCC1)[C@@H]1C(C)(C)CC[C@H](O)[C@@]12C ZINC000029547631 562030278 /nfs/dbraw/zinc/03/02/78/562030278.db2.gz WYMVQZKKULWCDD-ATPGOKIXSA-N 0 0 507.668 2.376 1 30 KEEFRN C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@H](O)[C@H](OC(=O)CN1CCC(O)(c3ccccc3)CC1)[C@@H]1C(C)(C)CC[C@H](O)[C@@]12C ZINC000029557296 562032308 /nfs/dbraw/zinc/03/23/08/562032308.db2.gz DWZDUUVZVWCDAK-JKVDNKOTSA-N 0 0 585.738 2.484 1 30 KEEFRN C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@H](O)[C@H](OC(=O)CN1CCC(NC(=O)c3ccccc3)CC1)[C@@H]1C(C)(C)CC[C@H](O)[C@@]12C ZINC000029557584 562032427 /nfs/dbraw/zinc/03/24/27/562032427.db2.gz BPOLRPSLSNQSOR-ZZONUEBLSA-N 0 0 612.764 2.394 1 30 KEEFRN C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@H](OC(=O)CCN1C(=O)c3ccccc3C1=O)[C@H](O)[C@@H]1C(C)(C)CC[C@H](O)[C@@]12C ZINC000029557949 562032417 /nfs/dbraw/zinc/03/24/17/562032417.db2.gz KVOFWUICYUBBAU-RXVYMQNFSA-N 0 0 569.651 2.186 1 30 KEEFRN C=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C(=O)NCCC(C)C ZINC000029571947 562035815 /nfs/dbraw/zinc/03/58/15/562035815.db2.gz CASDXUDZAJNUIT-FWEHEUNISA-N 0 0 634.819 2.247 1 30 KEEFRN Cc1cc(COc2ccc(C(=O)NCC3(C(=O)NO)CCN(S(C)(=O)=O)CC3)cc2)c2ccccc2n1 ZINC000034315450 562038674 /nfs/dbraw/zinc/03/86/74/562038674.db2.gz WIFSQEZIILGJQU-UHFFFAOYSA-N 0 0 526.615 2.399 1 30 KEEFRN CC(=O)/C=C/C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(Cc1cccs1)S(=O)(=O)c1cnoc1C ZINC000034786156 562040529 /nfs/dbraw/zinc/04/05/29/562040529.db2.gz JFGIOEZOSZQGFU-MRJFECKCSA-N 0 0 517.629 2.469 1 30 KEEFRN CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C#N)cc5)CC4)cc3)cc2n(C)c1=O ZINC000034800798 562041099 /nfs/dbraw/zinc/04/10/99/562041099.db2.gz WYMLQAIFZKYEIC-UHFFFAOYSA-N 0 0 546.653 2.483 1 30 KEEFRN O=C[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(I)cc1 ZINC000034886854 562043940 /nfs/dbraw/zinc/04/39/40/562043940.db2.gz VKQCDFJZICEKRA-PKOBYXMFSA-N 0 0 512.369 2.371 1 30 KEEFRN O=C[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(I)cc1 ZINC000034886856 562043939 /nfs/dbraw/zinc/04/39/39/562043939.db2.gz VKQCDFJZICEKRA-IEBWSBKVSA-N 0 0 512.369 2.371 1 30 KEEFRN CCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C=CBr)c(=O)[nH]c1=O ZINC000036144089 562048239 /nfs/dbraw/zinc/04/82/39/562048239.db2.gz UJLLAVMKZANACG-PWRIRTTLSA-N 0 0 503.390 2.205 1 30 KEEFRN O=C[C@H](Cc1ccccc1)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(I)cc1 ZINC000036287365 562054769 /nfs/dbraw/zinc/05/47/69/562054769.db2.gz HPUDARKQBXYPKA-FUHWJXTLSA-N 0 0 530.409 2.281 1 30 KEEFRN O=C[C@@H](Cc1ccccc1)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(I)cc1 ZINC000036287368 562054787 /nfs/dbraw/zinc/05/47/87/562054787.db2.gz HPUDARKQBXYPKA-SJLPKXTDSA-N 0 0 530.409 2.281 1 30 KEEFRN 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CC(=O)/C=C/[C@H]1CC[C@@]2(O)[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118921385 562830941 /nfs/dbraw/zinc/83/09/41/562830941.db2.gz VCEHHBZZCWPPES-UWTYNANISA-N 0 0 522.679 2.091 1 30 KEEFRN C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O[C@@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C)[C@@H]1C[C@@]2(C)O[C@@]2(C)C(=O)O1 ZINC000118936793 571844810 /nfs/dbraw/zinc/84/48/10/571844810.db2.gz OVHWHMIFHTVFRU-GPPAQOFTSA-N 0 0 620.780 2.221 1 30 endogenous,in-man KEEFRN C[C@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O[C@@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C)[C@@H]1C[C@@]2(C)O[C@@]2(C)C(=O)O1 ZINC000118936794 571844768 /nfs/dbraw/zinc/84/47/68/571844768.db2.gz OVHWHMIFHTVFRU-VYTOZHGJSA-N 0 0 620.780 2.221 1 30 endogenous,in-man KEEFRN C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C)[C@@H]1C[C@@]2(C)O[C@@]2(C)C(=O)O1 ZINC000118936795 571844748 /nfs/dbraw/zinc/84/47/48/571844748.db2.gz OVHWHMIFHTVFRU-TXHPCZQNSA-N 0 0 620.780 2.221 1 30 endogenous,in-man KEEFRN C[C@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C)[C@@H]1C[C@@]2(C)O[C@@]2(C)C(=O)O1 ZINC000118936796 571844667 /nfs/dbraw/zinc/84/46/67/571844667.db2.gz OVHWHMIFHTVFRU-ZXKGZSLHSA-N 0 0 620.780 2.221 1 30 endogenous,in-man KEEFRN CC(=O)O[C@@H]1[C@H]2O[C@@]2([C@@H](C)[C@@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H]4O[C@@]45[C@@H](O)C=CC(=O)[C@]35C)[C@]12O ZINC000118937491 571850099 /nfs/dbraw/zinc/85/00/99/571850099.db2.gz VVQRJFUYBNCTQX-FURBINEWSA-N 0 0 542.625 2.168 1 30 endogenous,in-man KEEFRN CC(=O)O[C@@H]1[C@H]2O[C@@]2([C@H](C)[C@@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H]4O[C@@]45[C@@H](O)C=CC(=O)[C@]35C)[C@]12O ZINC000118937492 571850278 /nfs/dbraw/zinc/85/02/78/571850278.db2.gz VVQRJFUYBNCTQX-YKIFOCHVSA-N 0 0 542.625 2.168 1 30 endogenous,in-man KEEFRN CC(=O)O[C@@H]1[C@H]2O[C@@]2([C@@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H]4O[C@@]45[C@@H](O)C=CC(=O)[C@]35C)[C@]12O ZINC000118937493 571850136 /nfs/dbraw/zinc/85/01/36/571850136.db2.gz VVQRJFUYBNCTQX-KCBVHWGDSA-N 0 0 542.625 2.168 1 30 endogenous,in-man KEEFRN CC(=O)O[C@@H]1[C@H]2O[C@@]2([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H]4O[C@@]45[C@@H](O)C=CC(=O)[C@]35C)[C@]12O ZINC000118937494 571850171 /nfs/dbraw/zinc/85/01/71/571850171.db2.gz VVQRJFUYBNCTQX-AMHKENLYSA-N 0 0 542.625 2.168 1 30 endogenous,in-man KEEFRN CC(=O)O[C@@H]1[C@H]2O[C@@]2([C@@H](C)[C@@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@]12O ZINC000118937495 571850134 /nfs/dbraw/zinc/85/01/34/571850134.db2.gz XIINLGCQYPFDPD-CGJBJKLCSA-N 0 0 544.641 2.152 1 30 endogenous,in-man KEEFRN CC(=O)O[C@@H]1[C@H]2O[C@@]2([C@H](C)[C@@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@]12O ZINC000118937496 571850210 /nfs/dbraw/zinc/85/02/10/571850210.db2.gz XIINLGCQYPFDPD-PBMQWFPASA-N 0 0 544.641 2.152 1 30 endogenous,in-man KEEFRN CC(=O)O[C@@H]1[C@H]2O[C@@]2([C@@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@]12O ZINC000118937497 571850157 /nfs/dbraw/zinc/85/01/57/571850157.db2.gz XIINLGCQYPFDPD-HHTIGZRQSA-N 0 0 544.641 2.152 1 30 endogenous,in-man KEEFRN CC(=O)O[C@@H]1[C@H]2O[C@@]2([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@]12O ZINC000118937498 571850162 /nfs/dbraw/zinc/85/01/62/571850162.db2.gz XIINLGCQYPFDPD-OTKXDPBSSA-N 0 0 544.641 2.152 1 30 endogenous,in-man KEEFRN CC1=C[C@@H]2O[C@H]3C[C@H](OC(=O)/C=C/C=C/[C@H](OCCC4=CC(=O)OC4)[C@H](C)O)[C@](C)([C@]34CO4)[C@]2(CO)CC1 ZINC000136452399 562831159 /nfs/dbraw/zinc/83/11/59/562831159.db2.gz JGIYRVDWRBKREW-BEVWBTKASA-N 0 0 530.614 2.315 1 30 KEEFRN COCCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)CC/C=C(\C)C(=O)NC(=CC1=O)C2=O ZINC000136867693 562831270 /nfs/dbraw/zinc/83/12/70/562831270.db2.gz AIUMNVRYLJGNNC-FOZRHDSQSA-N 0 0 605.729 2.222 1 30 KEEFRN COC(=O)[C@H](Cc1ccccc1)N[P@](=O)(OCCC#N)OC[C@@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1N=[N+]=[N-] ZINC000137785362 562831564 /nfs/dbraw/zinc/83/15/64/562831564.db2.gz GQOOHDGGHYGHFS-HOWSGTAWSA-N 0 0 561.492 2.240 1 30 KEEFRN C=CCN1C(=O)/C(=C/c2ccccc2)N=C1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000138195774 562831785 /nfs/dbraw/zinc/83/17/85/562831785.db2.gz QEUMUPBWHLXPCN-UQHIMSACSA-N 0 0 574.608 2.228 1 30 KEEFRN C=CCN1C(=O)/C(=C/c2ccc(OC)cc2)N=C1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000138244414 562831774 /nfs/dbraw/zinc/83/17/74/562831774.db2.gz BZHBJVSCLUMKPU-ULVOYUEKSA-N 0 0 604.634 2.237 1 30 KEEFRN COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4nc(-c5cnn(C)c5)ccc4O)cc3)NC(=O)NC1=O)C2 ZINC000143300623 562834881 /nfs/dbraw/zinc/83/48/81/562834881.db2.gz SRLGLYMFEUVUBS-SSEXGKCCSA-N 0 0 548.559 2.449 1 30 KEEFRN COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(CN4CCN(c5nccs5)CC4)cc3)NC(=O)NC1=O)C2 ZINC000143350905 562834933 /nfs/dbraw/zinc/83/49/33/562834933.db2.gz DKNBENRYRTUHRN-GDLZYMKVSA-N 0 0 556.648 2.060 1 30 KEEFRN COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(-c4cccc(N5CCOCC5)n4)cc3)NC(=O)NC1=O)C2 ZINC000143451455 562835045 /nfs/dbraw/zinc/83/50/45/562835045.db2.gz ZNTGPYZFJXZCSM-SSEXGKCCSA-N 0 0 555.566 2.319 1 30 KEEFRN COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(-c4cccc(N5CCOCC5)n4)c(F)c3)NC(=O)NC1=O)C2 ZINC000143451674 562835034 /nfs/dbraw/zinc/83/50/34/562835034.db2.gz QQEIDFSHQUMVQD-SSEXGKCCSA-N 0 0 573.556 2.458 1 30 KEEFRN COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(-c4nc(N5CCC(=O)CC5)ccc4O)cc3)NC(=O)NC1=O)C2 ZINC000143478611 562835068 /nfs/dbraw/zinc/83/50/68/562835068.db2.gz SSCTWNVPCAPXGN-WJOKGBTCSA-N 0 0 583.576 2.357 1 30 KEEFRN N#Cc1nccc(N2C[C@@H](S(=O)(=O)c3ccccc3C(F)(F)F)C[C@H]2C(=O)NCC(F)(F)F)n1 ZINC000145817294 562837669 /nfs/dbraw/zinc/83/76/69/562837669.db2.gz TUBLHCCHVGDNHR-AAEUAGOBSA-N 0 0 507.416 2.467 1 30 KEEFRN CCc1ncnc(-c2ccc(C(=O)N3CCN(CCCS(C)(=O)=O)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148287799 562840858 /nfs/dbraw/zinc/84/08/58/562840858.db2.gz IRMUOOFUNYZJHC-UHFFFAOYSA-N 0 0 550.660 2.415 1 30 KEEFRN CCc1ncnc(-c2ccc(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1C ZINC000148571561 562841517 /nfs/dbraw/zinc/84/15/17/562841517.db2.gz XBEYLZRJZJZHBV-JOCHJYFZSA-N 0 0 562.671 2.475 1 30 KEEFRN CCc1ncnc(-c2ccc(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1C ZINC000148571756 562841529 /nfs/dbraw/zinc/84/15/29/562841529.db2.gz XBEYLZRJZJZHBV-QFIPXVFZSA-N 0 0 562.671 2.475 1 30 KEEFRN CCc1ncnc(-c2ccc(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148579137 562841536 /nfs/dbraw/zinc/84/15/36/562841536.db2.gz PVVNPKKVRBGINJ-OAQYLSRUSA-N 0 0 548.644 2.167 1 30 KEEFRN CCc1ncnc(-c2ccc(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148579353 562841503 /nfs/dbraw/zinc/84/15/03/562841503.db2.gz PVVNPKKVRBGINJ-NRFANRHFSA-N 0 0 548.644 2.167 1 30 KEEFRN CCc1ncnc(-c2ccc(C(=O)N3CCN(S(=O)(=O)CC)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1 ZINC000148666050 562841636 /nfs/dbraw/zinc/84/16/36/562841636.db2.gz FDFYQLVTMBNTHI-UHFFFAOYSA-N 0 0 534.642 2.199 1 30 KEEFRN CCc1ncnc(-c2ccc(C(=O)N3CCN(S(=O)(=O)CC)CC3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000148672205 562841627 /nfs/dbraw/zinc/84/16/27/562841627.db2.gz VIQZNMLBVAPZSJ-UHFFFAOYSA-N 0 0 518.643 2.499 1 30 KEEFRN CCc1ncnc(-c2ccc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)c(OC)c2)c1C#Cc1ccc(N)nc1 ZINC000148714275 562841677 /nfs/dbraw/zinc/84/16/77/562841677.db2.gz VCYPTOPZAZRHPX-LJQANCHMSA-N 0 0 505.600 2.351 1 30 KEEFRN CCc1ncnc(-c2ccc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)c(OC)c2)c1C#Cc1ccc(N)nc1 ZINC000148714480 562841657 /nfs/dbraw/zinc/84/16/57/562841657.db2.gz VCYPTOPZAZRHPX-IBGZPJMESA-N 0 0 505.600 2.351 1 30 KEEFRN CCc1ncnc(-c2ccc(C(=O)N3CCN(CC(=O)N(C)C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148738734 562841697 /nfs/dbraw/zinc/84/16/97/562841697.db2.gz XDRMNEHXXCSJDU-UHFFFAOYSA-N 0 0 515.593 2.068 1 30 KEEFRN CCc1ncnc(-c2cc(F)c(C(=O)N3CCN([C@@H](C)CO)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148751977 562841708 /nfs/dbraw/zinc/84/17/08/562841708.db2.gz FVKLSWBTKPIXFR-KRWDZBQOSA-N 0 0 506.557 2.500 1 30 KEEFRN CCc1ncnc(-c2cc(F)c(C(=O)N3CCN([C@H](C)CO)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148752192 562841796 /nfs/dbraw/zinc/84/17/96/562841796.db2.gz FVKLSWBTKPIXFR-QGZVFWFLSA-N 0 0 506.557 2.500 1 30 KEEFRN CCc1ncnc(-c2ccc(C(=O)N3CCN(S(=O)(=O)CC)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148844980 562841930 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