smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)c1cc(C(=O)C(C(=S)Nc2ccccc2F)[n+]2ccc(Cc3ccccc3)cc2)ccc1O ZINC000027161326 1066394800 /nfs/dbraw/zinc/39/48/00/1066394800.db2.gz MLSHETOFHSTMTJ-UHFFFAOYSA-O 1 2 500.575 4.559 20 0 KJADLO NC(=O)c1cc(C(=O)C(C(=S)Nc2ccc(F)cc2)[n+]2ccc(Cc3ccccc3)cc2)ccc1O ZINC000027193651 1066394860 /nfs/dbraw/zinc/39/48/60/1066394860.db2.gz HOJUANDVLBWYPQ-UHFFFAOYSA-O 1 2 500.575 4.559 20 0 KJADLO CC(C)(C)c1cc[n+](C(C(=O)c2ccc(O)c(C(N)=O)c2)C(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000027312678 1066394835 /nfs/dbraw/zinc/39/48/35/1066394835.db2.gz VADGHWJDZXAYAF-UHFFFAOYSA-O 1 2 501.003 4.920 20 0 KJADLO CCCCn1c(SCC(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OCC)nnc1[C@H](CC)[NH+](C)C ZINC000514290885 1066419279 /nfs/dbraw/zinc/41/92/79/1066419279.db2.gz AYWQGTJBCVOIBD-INIZCTEOSA-N 1 2 509.698 4.571 20 0 KJADLO CCCCn1c(SCC(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OCC)nnc1[C@@H](CC)[NH+](C)C ZINC000514290889 1066407907 /nfs/dbraw/zinc/40/79/07/1066407907.db2.gz AYWQGTJBCVOIBD-MRXNPFEDSA-N 1 2 509.698 4.571 20 0 KJADLO COc1cc(NC(=O)CSc2nnc(C[NH+]3CCCCC3)n2-c2ccc(OC(F)F)cc2)cc(OC)c1 ZINC000514291310 1066420001 /nfs/dbraw/zinc/42/00/01/1066420001.db2.gz DVBHLWYDXUAGJW-UHFFFAOYSA-N 1 2 533.601 4.603 20 0 KJADLO CC[C@H](c1nnc(S[C@@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)n1CCN1CCOCC1)[NH+](C)C ZINC000514291602 1066421576 /nfs/dbraw/zinc/42/15/76/1066421576.db2.gz GXQTYWIRJVCPDI-AMDXRBSFSA-N 1 2 600.189 4.728 20 0 KJADLO CC[C@H](c1nnc(S[C@@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)n1CCN1CCOCC1)[NH+](C)C ZINC000514291607 1066421712 /nfs/dbraw/zinc/42/17/12/1066421712.db2.gz GXQTYWIRJVCPDI-BUUDZMLXSA-N 1 2 600.189 4.728 20 0 KJADLO CC[C@H](c1nnc(S[C@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)n1CCN1CCOCC1)[NH+](C)C ZINC000514291608 1066421592 /nfs/dbraw/zinc/42/15/92/1066421592.db2.gz GXQTYWIRJVCPDI-NIJXNBFTSA-N 1 2 600.189 4.728 20 0 KJADLO CC[C@H](c1nnc(S[C@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)n1CCN1CCOCC1)[NH+](C)C ZINC000514291792 1066420827 /nfs/dbraw/zinc/42/08/27/1066420827.db2.gz GXQTYWIRJVCPDI-ZPZUNKDASA-N 1 2 600.189 4.728 20 0 KJADLO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000514291812 1066420764 /nfs/dbraw/zinc/42/07/64/1066420764.db2.gz HCUJEOHNRFMIPJ-IBGZPJMESA-N 1 2 589.162 4.908 20 0 KJADLO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000514291818 1066420778 /nfs/dbraw/zinc/42/07/78/1066420778.db2.gz HCUJEOHNRFMIPJ-LJQANCHMSA-N 1 2 589.162 4.908 20 0 KJADLO COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000514291908 1066420731 /nfs/dbraw/zinc/42/07/31/1066420731.db2.gz IMHRLBKULSYYRG-HNNXBMFYSA-N 1 2 541.571 4.804 20 0 KJADLO COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000514291909 1066420802 /nfs/dbraw/zinc/42/08/02/1066420802.db2.gz IMHRLBKULSYYRG-OAHLLOKOSA-N 1 2 541.571 4.804 20 0 KJADLO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnc(C[NH+]3CCCCC3)n2-c2ccc(OC(F)F)cc2)c1 ZINC000514291922 1066419965 /nfs/dbraw/zinc/41/99/65/1066419965.db2.gz KDUSNEKUBFZFNG-UHFFFAOYSA-N 1 2 586.086 4.642 20 0 KJADLO CCc1ccccc1N(C(C)=O)c1nc(CSc2nnc([C@@H](CC)[NH+](C)C)n2CCN2CCOCC2)cs1 ZINC000514292047 1066420196 /nfs/dbraw/zinc/42/01/96/1066420196.db2.gz KEXCOJRMRQTKSK-HSZRJFAPSA-N 1 2 557.790 4.619 20 0 KJADLO CCc1ccccc1N(C(C)=O)c1nc(CSc2nnc([C@H](CC)[NH+](C)C)n2CCN2CCOCC2)cs1 ZINC000514292051 1066419981 /nfs/dbraw/zinc/41/99/81/1066419981.db2.gz KEXCOJRMRQTKSK-QHCPKHFHSA-N 1 2 557.790 4.619 20 0 KJADLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1 ZINC000514292517 1066410702 /nfs/dbraw/zinc/41/07/02/1066410702.db2.gz NINLJSQUUFMKSM-FQEVSTJZSA-N 1 2 572.682 4.707 20 0 KJADLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1 ZINC000514292522 1066410741 /nfs/dbraw/zinc/41/07/41/1066410741.db2.gz NINLJSQUUFMKSM-HXUWFJFHSA-N 1 2 572.682 4.707 20 0 KJADLO C[C@H](NC(=O)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1)c1cccs1 ZINC000514292636 1066410681 /nfs/dbraw/zinc/41/06/81/1066410681.db2.gz OHFZMIBKHUFZHL-INIZCTEOSA-N 1 2 507.632 4.886 20 0 KJADLO C[C@@H](NC(=O)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1)c1cccs1 ZINC000514292811 1066410133 /nfs/dbraw/zinc/41/01/33/1066410133.db2.gz OHFZMIBKHUFZHL-MRXNPFEDSA-N 1 2 507.632 4.886 20 0 KJADLO CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Sc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)c1 ZINC000514292938 1066410216 /nfs/dbraw/zinc/41/02/16/1066410216.db2.gz PMYOXPHIBSGKGY-FQEVSTJZSA-N 1 2 591.203 4.725 20 0 KJADLO CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Sc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)c1 ZINC000514292941 1066410204 /nfs/dbraw/zinc/41/02/04/1066410204.db2.gz PMYOXPHIBSGKGY-HXUWFJFHSA-N 1 2 591.203 4.725 20 0 KJADLO COc1ccc(OC)c(NC(=O)[C@H](C)Sc2nnc(C[NH+]3CCCC3)n2-c2ccc(Cl)cc2)c1 ZINC000514292977 1066410238 /nfs/dbraw/zinc/41/02/38/1066410238.db2.gz OFCIAZOMUVMPHA-INIZCTEOSA-N 1 2 502.040 4.653 20 0 KJADLO COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2nnc(C[NH+]3CCCC3)n2-c2ccc(Cl)cc2)c1 ZINC000514292984 1066410177 /nfs/dbraw/zinc/41/01/77/1066410177.db2.gz OFCIAZOMUVMPHA-MRXNPFEDSA-N 1 2 502.040 4.653 20 0 KJADLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000514293200 1066409292 /nfs/dbraw/zinc/40/92/92/1066409292.db2.gz SFBDGOSFYRCGFC-UHFFFAOYSA-N 1 2 564.655 4.760 20 0 KJADLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000514293200 1066409290 /nfs/dbraw/zinc/40/92/90/1066409290.db2.gz SFBDGOSFYRCGFC-UHFFFAOYSA-N 1 2 564.655 4.760 20 0 KJADLO Cc1c(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)sc2nc3n(c(=O)c12)CCCCC3 ZINC000514293208 1066409256 /nfs/dbraw/zinc/40/92/56/1066409256.db2.gz SITGDTQEZIYNDW-UHFFFAOYSA-N 1 2 505.669 4.760 20 0 KJADLO Cc1c(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)sc2nc3n(c(=O)c12)CCCCC3 ZINC000514293208 1066409255 /nfs/dbraw/zinc/40/92/55/1066409255.db2.gz SITGDTQEZIYNDW-UHFFFAOYSA-N 1 2 505.669 4.760 20 0 KJADLO CCN(C(C)=O)c1nc(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccc(OC(F)F)cc2)cs1 ZINC000514293345 1066412806 /nfs/dbraw/zinc/41/28/06/1066412806.db2.gz UHDHEAJPOAJYHR-UHFFFAOYSA-N 1 2 522.647 4.976 20 0 KJADLO CC[C@H](c1nnc(SCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)n1CCN1CCOCC1)[NH+](C)C ZINC000514293447 1066412098 /nfs/dbraw/zinc/41/20/98/1066412098.db2.gz RVMKJBFEBGJFDB-JOCHJYFZSA-N 1 2 564.181 4.710 20 0 KJADLO CC[C@@H](c1nnc(SCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)n1CCN1CCOCC1)[NH+](C)C ZINC000514293459 1066412123 /nfs/dbraw/zinc/41/21/23/1066412123.db2.gz RVMKJBFEBGJFDB-QFIPXVFZSA-N 1 2 564.181 4.710 20 0 KJADLO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000514293988 1066413368 /nfs/dbraw/zinc/41/33/68/1066413368.db2.gz VNUJMYMNJHQNOD-AWEZNQCLSA-N 1 2 533.651 4.509 20 0 KJADLO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000514293990 1066413335 /nfs/dbraw/zinc/41/33/35/1066413335.db2.gz VNUJMYMNJHQNOD-CQSZACIVSA-N 1 2 533.651 4.509 20 0 KJADLO COC(=O)c1sc2nc(CSc3nnc(C[NH+]4CCCCC4)n3-c3ccc(OC(F)F)cc3)[nH]c(=O)c2c1C ZINC000514294031 1066412861 /nfs/dbraw/zinc/41/28/61/1066412861.db2.gz YRXIDOWYUKQUMP-UHFFFAOYSA-N 1 2 576.651 4.540 20 0 KJADLO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)CSc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000514295998 1066413987 /nfs/dbraw/zinc/41/39/87/1066413987.db2.gz DUTAJSJMMPCAEW-IBGZPJMESA-N 1 2 584.768 4.793 20 0 KJADLO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)CSc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000514295999 1066413920 /nfs/dbraw/zinc/41/39/20/1066413920.db2.gz DUTAJSJMMPCAEW-LJQANCHMSA-N 1 2 584.768 4.793 20 0 KJADLO COc1cc(NC(=O)CSc2nnc([C@@H](C)[NH+]3CCCCC3)n2-c2ccccc2)cc(OC)c1OC ZINC000514297159 1066414554 /nfs/dbraw/zinc/41/45/54/1066414554.db2.gz NZKVNRCNLMSCSV-GOSISDBHSA-N 1 2 511.648 4.571 20 0 KJADLO COc1cc(NC(=O)CSc2nnc([C@H](C)[NH+]3CCCCC3)n2-c2ccccc2)cc(OC)c1OC ZINC000514297160 1066414517 /nfs/dbraw/zinc/41/45/17/1066414517.db2.gz NZKVNRCNLMSCSV-SFHVURJKSA-N 1 2 511.648 4.571 20 0 KJADLO Cc1c(Cl)cccc1NC(=O)CNC(=O)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1 ZINC000514299616 1066417019 /nfs/dbraw/zinc/41/70/19/1066417019.db2.gz HMRKEIFFLOTHKY-UHFFFAOYSA-N 1 2 579.073 4.663 20 0 KJADLO O=C(CSc1ccccc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000514300608 1066418569 /nfs/dbraw/zinc/41/85/69/1066418569.db2.gz PJFYRJMIGBENDN-UHFFFAOYSA-N 1 2 519.711 4.948 20 0 KJADLO C[C@@H](c1nnc(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)n1-c1ccc(F)cc1)[NH+](C)C ZINC000514301060 1066417955 /nfs/dbraw/zinc/41/79/55/1066417955.db2.gz XNCARGLXIGQQSF-AVRDEDQJSA-N 1 2 525.650 4.646 20 0 KJADLO C[C@H](c1nnc(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)n1-c1ccc(F)cc1)[NH+](C)C ZINC000514301061 1066417825 /nfs/dbraw/zinc/41/78/25/1066417825.db2.gz XNCARGLXIGQQSF-GCJKJVERSA-N 1 2 525.650 4.646 20 0 KJADLO C[C@@H](c1nnc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)n1-c1ccc(F)cc1)[NH+](C)C ZINC000514301062 1066417756 /nfs/dbraw/zinc/41/77/56/1066417756.db2.gz XNCARGLXIGQQSF-PGRDOPGGSA-N 1 2 525.650 4.646 20 0 KJADLO C[C@H](c1nnc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)n1-c1ccc(F)cc1)[NH+](C)C ZINC000514301063 1066417862 /nfs/dbraw/zinc/41/78/62/1066417862.db2.gz XNCARGLXIGQQSF-XMSQKQJNSA-N 1 2 525.650 4.646 20 0 KJADLO CC[C@H](c1nnc(SCC(=O)Nc2cc(-c3ccc(C)cc3)nn2-c2ccccc2)n1CCN1CCOCC1)[NH+](C)C ZINC000514304703 1066422738 /nfs/dbraw/zinc/42/27/38/1066422738.db2.gz WVBBZVZISOUJDC-HHHXNRCGSA-N 1 2 588.782 4.515 20 0 KJADLO CC[C@@H](c1nnc(SCC(=O)Nc2cc(-c3ccc(C)cc3)nn2-c2ccccc2)n1CCN1CCOCC1)[NH+](C)C ZINC000514304704 1066422808 /nfs/dbraw/zinc/42/28/08/1066422808.db2.gz WVBBZVZISOUJDC-MHZLTWQESA-N 1 2 588.782 4.515 20 0 KJADLO COc1ccc(CN(C)C(=O)CSc2nnc([C@H](C)[NH+]3CCCCC3)n2-c2ccccc2)cc1OC ZINC000514304757 1066422845 /nfs/dbraw/zinc/42/28/45/1066422845.db2.gz YVPODOKGZJAHSJ-FQEVSTJZSA-N 1 2 509.676 4.582 20 0 KJADLO COc1ccc(CN(C)C(=O)CSc2nnc([C@@H](C)[NH+]3CCCCC3)n2-c2ccccc2)cc1OC ZINC000514304758 1066422766 /nfs/dbraw/zinc/42/27/66/1066422766.db2.gz YVPODOKGZJAHSJ-HXUWFJFHSA-N 1 2 509.676 4.582 20 0 KJADLO O=C(CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000514304761 1066422870 /nfs/dbraw/zinc/42/28/70/1066422870.db2.gz ZCRNZKKVKUXCOM-UHFFFAOYSA-N 1 2 564.115 4.909 20 0 KJADLO CC[C@H](c1nnc(SCc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)n1CCN1CCOCC1)[NH+](C)C ZINC000514374369 1066426041 /nfs/dbraw/zinc/42/60/41/1066426041.db2.gz ARMXNRHMWFYCTE-HSZRJFAPSA-N 1 2 557.790 4.673 20 0 KJADLO CC[C@@H](c1nnc(SCc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)n1CCN1CCOCC1)[NH+](C)C ZINC000514374372 1066426114 /nfs/dbraw/zinc/42/61/14/1066426114.db2.gz ARMXNRHMWFYCTE-QHCPKHFHSA-N 1 2 557.790 4.673 20 0 KJADLO CC[C@H](c1nnc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)n1CCN1CCOCC1)[NH+](C)C ZINC000514374494 1066428748 /nfs/dbraw/zinc/42/87/48/1066428748.db2.gz CSRVQBNGOZOSRR-HSZRJFAPSA-N 1 2 516.756 4.601 20 0 KJADLO CC[C@@H](c1nnc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)n1CCN1CCOCC1)[NH+](C)C ZINC000514374496 1066428864 /nfs/dbraw/zinc/42/88/64/1066428864.db2.gz CSRVQBNGOZOSRR-QHCPKHFHSA-N 1 2 516.756 4.601 20 0 KJADLO CCCCn1c(SCC(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)nnc1[C@H](CC)[NH+](C)C ZINC000514374683 1066427899 /nfs/dbraw/zinc/42/78/99/1066427899.db2.gz FDHNMQMVAMKVOD-IBGZPJMESA-N 1 2 518.709 4.962 20 0 KJADLO CCCCn1c(SCC(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)nnc1[C@@H](CC)[NH+](C)C ZINC000514374684 1066427842 /nfs/dbraw/zinc/42/78/42/1066427842.db2.gz FDHNMQMVAMKVOD-LJQANCHMSA-N 1 2 518.709 4.962 20 0 KJADLO CCCCn1c(S[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2Cl)nnc1[C@@H](CC)[NH+](C)C ZINC000514374714 1066427282 /nfs/dbraw/zinc/42/72/82/1066427282.db2.gz FTPXIFOGVCKOKN-DYESRHJHSA-N 1 2 559.202 4.894 20 0 KJADLO CCCCn1c(S[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2Cl)nnc1[C@@H](CC)[NH+](C)C ZINC000514374716 1066427220 /nfs/dbraw/zinc/42/72/20/1066427220.db2.gz FTPXIFOGVCKOKN-LAUBAEHRSA-N 1 2 559.202 4.894 20 0 KJADLO CCCCn1c(S[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2Cl)nnc1[C@H](CC)[NH+](C)C ZINC000514374718 1066427172 /nfs/dbraw/zinc/42/71/72/1066427172.db2.gz FTPXIFOGVCKOKN-UTKZUKDTSA-N 1 2 559.202 4.894 20 0 KJADLO CCCCn1c(S[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2Cl)nnc1[C@H](CC)[NH+](C)C ZINC000514374719 1066427962 /nfs/dbraw/zinc/42/79/62/1066427962.db2.gz FTPXIFOGVCKOKN-UWJYYQICSA-N 1 2 559.202 4.894 20 0 KJADLO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000514374731 1066427858 /nfs/dbraw/zinc/42/78/58/1066427858.db2.gz GAYYPYBFLJSBOA-UHFFFAOYSA-N 1 2 601.173 4.881 20 0 KJADLO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000514374742 1066428003 /nfs/dbraw/zinc/42/80/03/1066428003.db2.gz GHHHKIACTSBFFQ-IBGZPJMESA-N 1 2 577.176 4.757 20 0 KJADLO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000514374743 1066428156 /nfs/dbraw/zinc/42/81/56/1066428156.db2.gz GHHHKIACTSBFFQ-LJQANCHMSA-N 1 2 577.176 4.757 20 0 KJADLO Cc1cc(C)c(NC(=O)CNC(=O)CSc2nnc(C[NH+]3CCCCC3)n2-c2ccc(OC(F)F)cc2)c(C)c1 ZINC000514374917 1066427145 /nfs/dbraw/zinc/42/71/45/1066427145.db2.gz IEYKHJGLPGJEOX-UHFFFAOYSA-N 1 2 572.682 4.627 20 0 KJADLO COc1ccc(CN(C)C(=O)CSc2nnc(C[NH+]3CCCCC3)n2-c2ccc(OC(F)F)cc2)cc1 ZINC000514375227 1066426145 /nfs/dbraw/zinc/42/61/45/1066426145.db2.gz MVRJXMIMUZRAQO-UHFFFAOYSA-N 1 2 531.629 4.614 20 0 KJADLO CC[C@H](c1nnc(SCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)n1CCN1CCOCC1)[NH+](C)C ZINC000514375366 1066432283 /nfs/dbraw/zinc/43/22/83/1066432283.db2.gz OFVJMEMBEGBREC-HSZRJFAPSA-N 1 2 557.790 4.673 20 0 KJADLO CC[C@@H](c1nnc(SCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)n1CCN1CCOCC1)[NH+](C)C ZINC000514375368 1066432069 /nfs/dbraw/zinc/43/20/69/1066432069.db2.gz OFVJMEMBEGBREC-QHCPKHFHSA-N 1 2 557.790 4.673 20 0 KJADLO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000514375395 1066432159 /nfs/dbraw/zinc/43/21/59/1066432159.db2.gz PMLSUBGHLLIWGN-UHFFFAOYSA-N 1 2 579.796 4.759 20 0 KJADLO Cc1c(NC(=O)[C@H](C)Sc2nnc(C[NH+]3CCCCC3)n2-c2ccc(OC(F)F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000514375459 1066431461 /nfs/dbraw/zinc/43/14/61/1066431461.db2.gz QTFLBDJWQMYWCN-FQEVSTJZSA-N 1 2 597.692 4.772 20 0 KJADLO Cc1c(NC(=O)[C@@H](C)Sc2nnc(C[NH+]3CCCCC3)n2-c2ccc(OC(F)F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000514375460 1066431555 /nfs/dbraw/zinc/43/15/55/1066431555.db2.gz QTFLBDJWQMYWCN-HXUWFJFHSA-N 1 2 597.692 4.772 20 0 KJADLO CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000514375493 1066432186 /nfs/dbraw/zinc/43/21/86/1066432186.db2.gz QAJPLKLBTAFUGK-UHFFFAOYSA-N 1 2 567.037 4.725 20 0 KJADLO CCCCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)nnc1[C@@H](CC)[NH+](C)C ZINC000514375508 1066431493 /nfs/dbraw/zinc/43/14/93/1066431493.db2.gz QMTQNQGDMAPWJO-GOSISDBHSA-N 1 2 517.618 4.866 20 0 KJADLO CCCCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)nnc1[C@H](CC)[NH+](C)C ZINC000514375509 1066431536 /nfs/dbraw/zinc/43/15/36/1066431536.db2.gz QMTQNQGDMAPWJO-SFHVURJKSA-N 1 2 517.618 4.866 20 0 KJADLO C[C@@H](c1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000514375740 1066430880 /nfs/dbraw/zinc/43/08/80/1066430880.db2.gz VDMNAONYNFVFSF-INIZCTEOSA-N 1 2 552.598 4.615 20 0 KJADLO C[C@H](c1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000514375744 1066430782 /nfs/dbraw/zinc/43/07/82/1066430782.db2.gz VDMNAONYNFVFSF-MRXNPFEDSA-N 1 2 552.598 4.615 20 0 KJADLO CC[C@@H](c1nnc(SCC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)n1CCN1CCOCC1)[NH+](C)C ZINC000514375803 1066430090 /nfs/dbraw/zinc/43/00/90/1066430090.db2.gz VZRPPVAMIGVWDH-DEOSSOPVSA-N 1 2 603.587 4.909 20 0 KJADLO CC[C@H](c1nnc(SCC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)n1CCN1CCOCC1)[NH+](C)C ZINC000514375806 1066430256 /nfs/dbraw/zinc/43/02/56/1066430256.db2.gz VZRPPVAMIGVWDH-XMMPIXPASA-N 1 2 603.587 4.909 20 0 KJADLO C[C@@H](NC(=O)CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1)c1ccc(Br)cc1 ZINC000514375875 1066430167 /nfs/dbraw/zinc/43/01/67/1066430167.db2.gz YDIODYAGCBFENR-GOSISDBHSA-N 1 2 514.493 4.654 20 0 KJADLO C[C@H](NC(=O)CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1)c1ccc(Br)cc1 ZINC000514375876 1066430241 /nfs/dbraw/zinc/43/02/41/1066430241.db2.gz YDIODYAGCBFENR-SFHVURJKSA-N 1 2 514.493 4.654 20 0 KJADLO CCCCn1c(SCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2CC)nnc1[C@@H](CC)[NH+](C)C ZINC000514376025 1066429595 /nfs/dbraw/zinc/42/95/95/1066429595.db2.gz ZPXLVZQGSJCROC-JOCHJYFZSA-N 1 2 547.795 4.927 20 0 KJADLO CCCCn1c(SCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2CC)nnc1[C@H](CC)[NH+](C)C ZINC000514376026 1066430035 /nfs/dbraw/zinc/43/00/35/1066430035.db2.gz ZPXLVZQGSJCROC-QFIPXVFZSA-N 1 2 547.795 4.927 20 0 KJADLO CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000514378005 1066434327 /nfs/dbraw/zinc/43/43/27/1066434327.db2.gz BODWIKFRWVOGBE-IBGZPJMESA-N 1 2 525.538 4.628 20 0 KJADLO CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000514378006 1066434375 /nfs/dbraw/zinc/43/43/75/1066434375.db2.gz BODWIKFRWVOGBE-LJQANCHMSA-N 1 2 525.538 4.628 20 0 KJADLO CC1CC[NH+](Cc2csc(NC(=O)C3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)n2)CC1 ZINC000514380189 1066435699 /nfs/dbraw/zinc/43/56/99/1066435699.db2.gz ZBDMMKPAQSWRSH-UHFFFAOYSA-N 1 2 531.531 4.721 20 0 KJADLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(Sc3nnc(-c4ccc(OC)cc4)n3C[C@@H]3CCCO3)c2c1C ZINC000514380679 1066425519 /nfs/dbraw/zinc/42/55/19/1066425519.db2.gz SQYGGFCCOCWQOU-IBGZPJMESA-N 1 2 568.725 4.835 20 0 KJADLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(Sc3nnc(-c4ccc(OC)cc4)n3C[C@H]3CCCO3)c2c1C ZINC000514380680 1066425567 /nfs/dbraw/zinc/42/55/67/1066425567.db2.gz SQYGGFCCOCWQOU-LJQANCHMSA-N 1 2 568.725 4.835 20 0 KJADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)CSc3nnc(-c4cccnc4)n3Cc3ccco3)CC2)cc1 ZINC000514381635 1066450041 /nfs/dbraw/zinc/45/00/41/1066450041.db2.gz MDTBTBQRSRRYLS-UHFFFAOYSA-N 1 2 516.671 4.541 20 0 KJADLO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc([C@H](C)[NH+]3CCCCC3)n2-c2ccccc2)cc1 ZINC000514381724 1066449279 /nfs/dbraw/zinc/44/92/79/1066449279.db2.gz PQTPJJASZSKIHA-LEWJYISDSA-N 1 2 556.758 4.620 20 0 KJADLO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc([C@@H](C)[NH+]3CCCCC3)n2-c2ccccc2)cc1 ZINC000514381725 1066450059 /nfs/dbraw/zinc/45/00/59/1066450059.db2.gz PQTPJJASZSKIHA-NHCUHLMSSA-N 1 2 556.758 4.620 20 0 KJADLO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc([C@@H](C)[NH+]3CCCCC3)n2-c2ccccc2)cc1 ZINC000514381726 1066450011 /nfs/dbraw/zinc/45/00/11/1066450011.db2.gz PQTPJJASZSKIHA-RTWAWAEBSA-N 1 2 556.758 4.620 20 0 KJADLO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc([C@H](C)[NH+]3CCCCC3)n2-c2ccccc2)cc1 ZINC000514381727 1066449944 /nfs/dbraw/zinc/44/99/44/1066449944.db2.gz PQTPJJASZSKIHA-SFTDATJTSA-N 1 2 556.758 4.620 20 0 KJADLO CC[C@@H](c1nnc(Sc2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)n1CCN1CCOCC1)[NH+](C)C ZINC000514382322 1066449238 /nfs/dbraw/zinc/44/92/38/1066449238.db2.gz JHUKPHNJMXPJOK-NRFANRHFSA-N 1 2 564.785 4.720 20 0 KJADLO CC[C@H](c1nnc(Sc2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)n1CCN1CCOCC1)[NH+](C)C ZINC000514382323 1066449118 /nfs/dbraw/zinc/44/91/18/1066449118.db2.gz JHUKPHNJMXPJOK-OAQYLSRUSA-N 1 2 564.785 4.720 20 0 KJADLO Cc1sc2nc([C@H](C)Sc3nnc(-c4ccc(F)cc4)n3CC[NH+]3CCOCC3)[nH]c(=O)c2c1C ZINC000514382729 1066438178 /nfs/dbraw/zinc/43/81/78/1066438178.db2.gz BTGFKKANLWFFML-INIZCTEOSA-N 1 2 514.652 4.597 20 0 KJADLO Cc1sc2nc([C@@H](C)Sc3nnc(-c4ccc(F)cc4)n3CC[NH+]3CCOCC3)[nH]c(=O)c2c1C ZINC000514382730 1066438189 /nfs/dbraw/zinc/43/81/89/1066438189.db2.gz BTGFKKANLWFFML-MRXNPFEDSA-N 1 2 514.652 4.597 20 0 KJADLO C[C@H](Sc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000514382957 1066437420 /nfs/dbraw/zinc/43/74/20/1066437420.db2.gz CSSIWISUUDEHDB-KRWDZBQOSA-N 1 2 505.566 4.940 20 0 KJADLO C[C@@H](Sc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000514382958 1066437283 /nfs/dbraw/zinc/43/72/83/1066437283.db2.gz CSSIWISUUDEHDB-QGZVFWFLSA-N 1 2 505.566 4.940 20 0 KJADLO CCOC(=O)c1c(NC(=O)CSc2nnc([C@H](C)[NH+]3CCCCC3)n2-c2ccccc2)oc(C)c1C(C)=O ZINC000514383204 1066437272 /nfs/dbraw/zinc/43/72/72/1066437272.db2.gz ILPAAGOPAAGUEV-KRWDZBQOSA-N 1 2 539.658 4.826 20 0 KJADLO CCOC(=O)c1c(NC(=O)CSc2nnc([C@@H](C)[NH+]3CCCCC3)n2-c2ccccc2)oc(C)c1C(C)=O ZINC000514383205 1066437356 /nfs/dbraw/zinc/43/73/56/1066437356.db2.gz ILPAAGOPAAGUEV-QGZVFWFLSA-N 1 2 539.658 4.826 20 0 KJADLO CC[C@H](c1nnc(SCc2nc3scc(-c4ccc(C)s4)c3c(=O)[nH]2)n1CCN1CCOCC1)[NH+](C)C ZINC000514385128 1066440636 /nfs/dbraw/zinc/44/06/36/1066440636.db2.gz ZHZYGUZMGMQFPX-GOSISDBHSA-N 1 2 559.787 4.663 20 0 KJADLO CC[C@@H](c1nnc(SCc2nc3scc(-c4ccc(C)s4)c3c(=O)[nH]2)n1CCN1CCOCC1)[NH+](C)C ZINC000514385129 1066440689 /nfs/dbraw/zinc/44/06/89/1066440689.db2.gz ZHZYGUZMGMQFPX-SFHVURJKSA-N 1 2 559.787 4.663 20 0 KJADLO COc1cc2c(cc1OC)CN(C(=O)CSc1nnc([C@H](C)[NH+]3CCCCC3)n1-c1ccccc1)CC2 ZINC000514386119 1066441938 /nfs/dbraw/zinc/44/19/38/1066441938.db2.gz DNYHWEWEMCTGPR-FQEVSTJZSA-N 1 2 521.687 4.508 20 0 KJADLO COc1cc2c(cc1OC)CN(C(=O)CSc1nnc([C@@H](C)[NH+]3CCCCC3)n1-c1ccccc1)CC2 ZINC000514386120 1066442025 /nfs/dbraw/zinc/44/20/25/1066442025.db2.gz DNYHWEWEMCTGPR-HXUWFJFHSA-N 1 2 521.687 4.508 20 0 KJADLO CCCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)nnc1[C@H](CC)[NH+](C)C ZINC000514386227 1066441992 /nfs/dbraw/zinc/44/19/92/1066441992.db2.gz IGDXYKYYCMAPKC-DEOSSOPVSA-N 1 2 558.774 4.642 20 0 KJADLO CCCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)nnc1[C@@H](CC)[NH+](C)C ZINC000514386228 1066441952 /nfs/dbraw/zinc/44/19/52/1066441952.db2.gz IGDXYKYYCMAPKC-XMMPIXPASA-N 1 2 558.774 4.642 20 0 KJADLO CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000514386392 1066444666 /nfs/dbraw/zinc/44/46/66/1066444666.db2.gz NGMZRUNKYAKQJA-UHFFFAOYSA-N 1 2 598.795 4.556 20 0 KJADLO CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)cc1 ZINC000514386430 1066444549 /nfs/dbraw/zinc/44/45/49/1066444549.db2.gz PAJCCHYBYPKMDN-UHFFFAOYSA-N 1 2 582.796 4.606 20 0 KJADLO COc1ccc(OC)c([C@@H](C)NC(=O)CSc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)c1 ZINC000514386639 1066443767 /nfs/dbraw/zinc/44/37/67/1066443767.db2.gz WJIJKBGVPDAYOM-CVEARBPZSA-N 1 2 504.056 4.530 20 0 KJADLO COc1ccc(OC)c([C@H](C)NC(=O)CSc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)c1 ZINC000514386640 1066443756 /nfs/dbraw/zinc/44/37/56/1066443756.db2.gz WJIJKBGVPDAYOM-HOTGVXAUSA-N 1 2 504.056 4.530 20 0 KJADLO COc1ccc(OC)c([C@@H](C)NC(=O)CSc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)c1 ZINC000514386641 1066443789 /nfs/dbraw/zinc/44/37/89/1066443789.db2.gz WJIJKBGVPDAYOM-HZPDHXFCSA-N 1 2 504.056 4.530 20 0 KJADLO COc1ccc(OC)c([C@H](C)NC(=O)CSc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)c1 ZINC000514386642 1066443823 /nfs/dbraw/zinc/44/38/23/1066443823.db2.gz WJIJKBGVPDAYOM-JKSUJKDBSA-N 1 2 504.056 4.530 20 0 KJADLO COc1ccc(NC(=O)CSc2ccccc2C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1OC ZINC000514390032 1066446575 /nfs/dbraw/zinc/44/65/75/1066446575.db2.gz VQIOCUCNAIYIAO-UHFFFAOYSA-N 1 2 549.697 4.619 20 0 KJADLO O=C(CSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1)Nc1ccccc1N1CCCC1=O ZINC000514390828 1066447716 /nfs/dbraw/zinc/44/77/16/1066447716.db2.gz CYKIPNKFOJNPGG-UHFFFAOYSA-N 1 2 556.639 4.712 20 0 KJADLO COc1cc(Br)c(CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)cc1OC ZINC000514390960 1066447060 /nfs/dbraw/zinc/44/70/60/1066447060.db2.gz DJJONFAGQQJIRC-UHFFFAOYSA-N 1 2 503.466 4.994 20 0 KJADLO CCc1sc(-c2nnc(CSc3nnc(-c4ccc(F)cc4)n3CC[NH+]3CCOCC3)o2)cc1C ZINC000514391462 1066448894 /nfs/dbraw/zinc/44/88/94/1066448894.db2.gz KKCTUWMOSAVOCE-UHFFFAOYSA-N 1 2 514.652 4.691 20 0 KJADLO COc1cc(-c2nnc(SCC(=O)NCc3ccccc3C[NH+]3CCOCC3)n2C2CCCCC2)cc(OC)c1OC ZINC000514391902 1066437407 /nfs/dbraw/zinc/43/74/07/1066437407.db2.gz PXKDYAAZHWWHHR-UHFFFAOYSA-N 1 2 595.766 4.717 20 0 KJADLO O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000514392511 1066456199 /nfs/dbraw/zinc/45/61/99/1066456199.db2.gz WZVUQNWFEUSGNI-UHFFFAOYSA-N 1 2 503.093 4.507 20 0 KJADLO O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000514392511 1066456195 /nfs/dbraw/zinc/45/61/95/1066456195.db2.gz WZVUQNWFEUSGNI-UHFFFAOYSA-N 1 2 503.093 4.507 20 0 KJADLO O=C(CCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1)Nc1ccc(N2CCCC2=O)cc1 ZINC000514393509 1066457621 /nfs/dbraw/zinc/45/76/21/1066457621.db2.gz DBQZTTIDGKGMPW-UHFFFAOYSA-N 1 2 504.660 4.501 20 0 KJADLO COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Sc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000514395361 1066457530 /nfs/dbraw/zinc/45/75/30/1066457530.db2.gz IYBXCVKJUONEFW-MSOLQXFVSA-N 1 2 500.068 4.883 20 0 KJADLO COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Sc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000514395362 1066457590 /nfs/dbraw/zinc/45/75/90/1066457590.db2.gz IYBXCVKJUONEFW-QZTJIDSGSA-N 1 2 500.068 4.883 20 0 KJADLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)Sc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000514395363 1066457429 /nfs/dbraw/zinc/45/74/29/1066457429.db2.gz IYBXCVKJUONEFW-ROUUACIJSA-N 1 2 500.068 4.883 20 0 KJADLO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Sc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000514395364 1066457452 /nfs/dbraw/zinc/45/74/52/1066457452.db2.gz IYBXCVKJUONEFW-ZWKOTPCHSA-N 1 2 500.068 4.883 20 0 KJADLO C[C@H](c1nnc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000514395751 1066460526 /nfs/dbraw/zinc/46/05/26/1066460526.db2.gz SDANGUJSFUIDRZ-CVEARBPZSA-N 1 2 502.040 4.824 20 0 KJADLO C[C@H](Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000514395752 1066460498 /nfs/dbraw/zinc/46/04/98/1066460498.db2.gz SDANGUJSFUIDRZ-HOTGVXAUSA-N 1 2 502.040 4.824 20 0 KJADLO C[C@@H](Sc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000514395753 1066460445 /nfs/dbraw/zinc/46/04/45/1066460445.db2.gz SDANGUJSFUIDRZ-HZPDHXFCSA-N 1 2 502.040 4.824 20 0 KJADLO C[C@@H](Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000514395754 1066460440 /nfs/dbraw/zinc/46/04/40/1066460440.db2.gz SDANGUJSFUIDRZ-JKSUJKDBSA-N 1 2 502.040 4.824 20 0 KJADLO O=C(CCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1)Nc1ccc(N2CCCC2=O)cc1 ZINC000514402040 1066450292 /nfs/dbraw/zinc/45/02/92/1066450292.db2.gz KIUSWDCPNHPYJU-UHFFFAOYSA-N 1 2 522.650 4.640 20 0 KJADLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)Sc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000514402424 1066452418 /nfs/dbraw/zinc/45/24/18/1066452418.db2.gz IQAWJDYAADGXDF-IBGZPJMESA-N 1 2 541.121 4.657 20 0 KJADLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Sc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000514402426 1066452388 /nfs/dbraw/zinc/45/23/88/1066452388.db2.gz IQAWJDYAADGXDF-LJQANCHMSA-N 1 2 541.121 4.657 20 0 KJADLO CC[C@@H](c1nnc(SCC(=O)Nc2c(Br)cc(Br)cc2Br)n1CCN1CCOCC1)[NH+](C)C ZINC000514402752 1066451612 /nfs/dbraw/zinc/45/16/12/1066451612.db2.gz MFOGESZHVQCLRG-KRWDZBQOSA-N 1 2 669.282 4.641 20 0 KJADLO CC[C@H](c1nnc(SCC(=O)Nc2c(Br)cc(Br)cc2Br)n1CCN1CCOCC1)[NH+](C)C ZINC000514402753 1066451662 /nfs/dbraw/zinc/45/16/62/1066451662.db2.gz MFOGESZHVQCLRG-QGZVFWFLSA-N 1 2 669.282 4.641 20 0 KJADLO C[C@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1)C(=O)NCCc1cccs1 ZINC000514404786 1066462449 /nfs/dbraw/zinc/46/24/49/1066462449.db2.gz MSNNLPOWFPDRBD-KRWDZBQOSA-N 1 2 521.659 4.756 20 0 KJADLO C[C@@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1)C(=O)NCCc1cccs1 ZINC000514404787 1066462351 /nfs/dbraw/zinc/46/23/51/1066462351.db2.gz MSNNLPOWFPDRBD-QGZVFWFLSA-N 1 2 521.659 4.756 20 0 KJADLO CC[C@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000514404857 1066462331 /nfs/dbraw/zinc/46/23/31/1066462331.db2.gz LLQLBJLGXMEYRC-IBGZPJMESA-N 1 2 518.580 4.622 20 0 KJADLO CC[C@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000514404857 1066462328 /nfs/dbraw/zinc/46/23/28/1066462328.db2.gz LLQLBJLGXMEYRC-IBGZPJMESA-N 1 2 518.580 4.622 20 0 KJADLO CC[C@@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000514404858 1066462410 /nfs/dbraw/zinc/46/24/10/1066462410.db2.gz LLQLBJLGXMEYRC-LJQANCHMSA-N 1 2 518.580 4.622 20 0 KJADLO CC[C@@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000514404858 1066462407 /nfs/dbraw/zinc/46/24/07/1066462407.db2.gz LLQLBJLGXMEYRC-LJQANCHMSA-N 1 2 518.580 4.622 20 0 KJADLO C[C@H](c1nnc(SCC(=O)NCc2ccc(OC(F)F)cc2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000514405358 1066454192 /nfs/dbraw/zinc/45/41/92/1066454192.db2.gz TYODJRAHFQDSOI-GOSISDBHSA-N 1 2 501.603 4.824 20 0 KJADLO C[C@@H](c1nnc(SCC(=O)NCc2ccc(OC(F)F)cc2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000514405359 1066454258 /nfs/dbraw/zinc/45/42/58/1066454258.db2.gz TYODJRAHFQDSOI-SFHVURJKSA-N 1 2 501.603 4.824 20 0 KJADLO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000595652966 1066478453 /nfs/dbraw/zinc/47/84/53/1066478453.db2.gz WDWOIVMQNDUGJJ-HSZRJFAPSA-N 1 2 500.002 4.857 20 0 KJADLO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)N[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000595652994 1066478610 /nfs/dbraw/zinc/47/86/10/1066478610.db2.gz WDWOIVMQNDUGJJ-QHCPKHFHSA-N 1 2 500.002 4.857 20 0 KJADLO Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001165989418 1067166881 /nfs/dbraw/zinc/16/68/81/1067166881.db2.gz QJKIIFMKJZXTJW-UHFFFAOYSA-N 1 2 500.006 4.525 20 0 KJADLO